2-(N-Boc)piperazine-4-phenyl-thiazole-5-carboxylic acid

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CAS
905807-75-2
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Purity
96%
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Catalog Number

ACM905807752

Product Name

2-(N-Boc)piperazine-4-phenyl-thiazole-5-carboxylic acid

CAS

905807-75-2

Category

Heterocyclic Organic Compound

Synonyms

CTK7G3371, AKOS015962479, AC-17425, KB-280109, KB-280872, 2-(N-boc)piperazine-4-phenyl-thiazole-5-carboxylic acid, 2-(n-boc-piperazin-1-yl)-4-phenylthiazole-5-carboxylic acid, 2-(N-BOC-PIPERAZINO)-4-PHENYL-THIAZOLE-5-CARBOXYLIC ACID, 2-(4-(TERT-BUTOXYCARBONYL)PIPERAZIN-1-YL)-4-PHENYLTHIAZOLE-5-CARBOXYLIC ACID, 905807-75-2

IUPAC Name

2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-phenyl-1,3-thiazole-5-carboxylic acid

Molecular Weight

389.468620 [g/mol]

Molecular Formula

C19H23N3O4S

Canonical SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC(=C(S2)C(=O)O)C3=CC=CC=C3

InChI Key

PTRZPTMQAPOMFR-UHFFFAOYSA-N

Boiling Point

552.9ºC at 760 mmHg

Flash Point

288.2ºC

Density

1.296g/cm³

Exact Mass

389.14100

H-Bond Acceptor

7

H-Bond Donor

1

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula for 2-(N-Boc)piperazine-4-phenyl-thiazole-5-carboxylic acid?

The molecular formula is C19H23N3O4S.

What is the molecular weight of 2-(N-Boc)piperazine-4-phenyl-thiazole-5-carboxylic acid?

The molecular weight is 389.5 g/mol.

What is the IUPAC name for 2-(N-Boc)piperazine-4-phenyl-thiazole-5-carboxylic acid?

The IUPAC name is 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-phenyl-1,3-thiazole-5-carboxylic acid.

What is the InChI for 2-(N-Boc)piperazine-4-phenyl-thiazole-5-carboxylic acid?

The InChI is InChI=1S/C19H23N3O4S/c1-19(2,3)26-18(25)22-11-9-21(10-12-22)17-20-14(15(27-17)16(23)24)13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,23,24).

What is the InChIKey for 2-(N-Boc)piperazine-4-phenyl-thiazole-5-carboxylic acid?

The InChIKey is PTRZPTMQAPOMFR-UHFFFAOYSA-N.

What is the Canonical SMILES for 2-(N-Boc)piperazine-4-phenyl-thiazole-5-carboxylic acid?

The Canonical SMILES is CC(C)(C)OC(=O)N1CCN(CC1)C2=NC(=C(S2)C(=O)O)C3=CC=CC=C3.

What is the XLogP3-AA value for 2-(N-Boc)piperazine-4-phenyl-thiazole-5-carboxylic acid?

The XLogP3-AA value is 3.6.

How many hydrogen bond donor counts are there in 2-(N-Boc)piperazine-4-phenyl-thiazole-5-carboxylic acid?

There is one hydrogen bond donor count.

How many hydrogen bond acceptor counts are there in 2-(N-Boc)piperazine-4-phenyl-thiazole-5-carboxylic acid?

There are seven hydrogen bond acceptor counts.

Is 2-(N-Boc)piperazine-4-phenyl-thiazole-5-carboxylic acid considered canonicalized?

Yes, it is considered canonicalized.

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