2-(1H-imidazol-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid

C8H6N4O3S — CID 116697134

IUPAC2-(1H-imidazol-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(C(=O)Nc2ncc[nH]2)n1
InChIInChI=1S/C8H6N4O3S/c13-5(12-8-9-1-2-10-8)6-11-4(3-16-6)7(14)15/h1-3H,(H,14,15)(H2,9,10,12,13)
InChIKeyRZWLVBCYCQHCMM-UHFFFAOYSA-N
MW238.23 g/mol
LogP0.82
Rot. Bonds3

About 2-(1H-imidazol-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid

2-(1H-imidazol-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 116697134) has the molecular formula C8H6N4O3S and a molecular weight of 238.23 g/mol. Its IUPAC name is 2-(1H-imidazol-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(1H-imidazol-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
PubChem CID116697134
Molecular FormulaC8H6N4O3S
Molecular Weight238.23 g/mol
Exact Mass238.02
IUPAC Name2-(1H-imidazol-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(C(=O)Nc2ncc[nH]2)n1
InChIInChI=1S/C8H6N4O3S/c13-5(12-8-9-1-2-10-8)6-11-4(3-16-6)7(14)15/h1-3H,(H,14,15)(H2,9,10,12,13)
InChIKeyRZWLVBCYCQHCMM-UHFFFAOYSA-N
XLogP0.82
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(pyrimidin-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696597
5-chloro-N-(1H-imidazol-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80619445
2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696706
2-[(5-methyl-2-pyridinyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696469
2-(quinolin-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116697056
2-[(4-tert-butylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696532
2-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697501
2-(quinolin-3-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116697062
2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696589
N-(1H-imidazol-2-yl)-2,3,4,5,6-pentamethylbenzamide
CID 55212567
2-[(2-ethylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696638
2-[(1-methylpyrazol-4-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696698

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(1H-imidazol-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid (CID 116697134) is 2-(1H-imidazol-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(1H-imidazol-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(1H-imidazol-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(C(=O)Nc2ncc[nH]2)n1.
What is the InChIKey of 2-(1H-imidazol-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is RZWLVBCYCQHCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O3S/c13-5(12-8-9-1-2-10-8)6-11-4(3-16-6)7(14)15/h1-3H,(H,14,15)(H2,9,10,12,13).
What are the key properties of 2-(1H-imidazol-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid?
2-(1H-imidazol-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 238.23 g/mol, XLogP of 0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 116697134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).