CAS
911462-21-0 Purity
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911462-21-0 Purity
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4-[(4-Pyridinylamino)carbonyl]-2-thiazolecarboxylic acid
CAS
911466-98-3
Catalog Number
ACM911466983
Category
Other Products
Molecular Weight
249.245880 [g/mol]
Molecular Formula
C10H7N3O3S
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Specification
Synonyms
911466-98-3, 4-[(4-pyridinylamino)carbonyl]-2-Thiazolecarboxylicacid, 2-Thiazolecarboxylic acid, 4-[(4-pyridinylamino)carbonyl]-, CTK8D4275, AKOS015854433, A10839, 4-(pyridin-4-ylcarbamoyl)thiazole-2-carboxylic acid
IUPAC Name
4-(pyridin-4-ylcarbamoyl)-1,3-thiazole-2-carboxylic acid
SMILES
C1=CN=CC=C1NC(=O)C2=CSC(=N2)C(=O)O
InChI Key
MQEAVIWUUPBTQV-UHFFFAOYSA-N
Exact Mass
249.02100
H-Bond Acceptor
6
H-Bond Donor
2
What is the molecular formula of the compound with PubChem CID 53482119?
The molecular formula is C10H7N3O3S.
When was the compound created and last modified in PubChem?
The compound was created on November 14, 2011, and last modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name is 4-(pyridin-4-ylcarbamoyl)-1,3-thiazole-2-carboxylic acid.
What is the InChI of the compound?
The InChI is InChI=1S/C10H7N3O3S/c14-8(12-6-1-3-11-4-2-6)7-5-17-9(13-7)10(15)16/h1-5H,(H,15,16)(H,11,12,14).
What is the InChIKey of the compound?
The InChIKey is MQEAVIWUUPBTQV-UHFFFAOYSA-N.
What is the canonical SMILES representation of the compound?
The canonical SMILES representation is C1=CN=CC=C1NC(=O)C2=CSC(=N2)C(=O)O.
What is the molecular weight of the compound?
The molecular weight is 249.25 g/mol.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 120 Ų.
Is the compound canonicalized as per PubChem?
Yes, the compound is canonicalized as per PubChem.
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