CAS
905807-71-8 Purity
96%
905807-71-8 Purity
96%
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2-(N-Boc)piperazine-4-phenyl-thiazole-5-carboxylic acid
CAS
905807-75-2
Catalog Number
ACM905807752
Category
Other Products
Molecular Weight
389.468620 [g/mol]
Molecular Formula
C19H23N3O4S
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Specification
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
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
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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