2-(5-chloro-1,3-thiazol-2-yl)-1H-imidazole-5-carboxylic acid

C7H4ClN3O2S — CID 107125453

IUPAC2-(5-chloro-1,3-thiazol-2-yl)-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ncc(Cl)s2)[nH]1
InChIInChI=1S/C7H4ClN3O2S/c8-4-2-10-6(14-4)5-9-1-3(11-5)7(12)13/h1-2H,(H,9,11)(H,12,13)
InChIKeyAFUHXDWKSXEUPV-UHFFFAOYSA-N
MW229.65 g/mol
LogP1.88
Rot. Bonds2

About 2-(5-chloro-1,3-thiazol-2-yl)-1H-imidazole-5-carboxylic acid

2-(5-chloro-1,3-thiazol-2-yl)-1H-imidazole-5-carboxylic acid (PubChem CID 107125453) has the molecular formula C7H4ClN3O2S and a molecular weight of 229.65 g/mol. Its IUPAC name is 2-(5-chloro-1,3-thiazol-2-yl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(5-chloro-1,3-thiazol-2-yl)-1H-imidazole-5-carboxylic acid
PubChem CID107125453
Molecular FormulaC7H4ClN3O2S
Molecular Weight229.65 g/mol
Exact Mass228.97
IUPAC Name2-(5-chloro-1,3-thiazol-2-yl)-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ncc(Cl)s2)[nH]1
InChIInChI=1S/C7H4ClN3O2S/c8-4-2-10-6(14-4)5-9-1-3(11-5)7(12)13/h1-2H,(H,9,11)(H,12,13)
InChIKeyAFUHXDWKSXEUPV-UHFFFAOYSA-N
XLogP1.88
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.65
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-5-chlorothiophen-2-yl)-1H-imidazole-5-carboxylic acid
CID 102844260
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-imidazole-5-carboxylic acid
CID 96605840
2-(5-methylthiophen-3-yl)-1H-imidazole-5-carboxylic acid
CID 130697506
2-phenyl-1H-imidazole-5-carboxylic acid;hydrate
CID 2738138
2-(5-chloro-1,3-thiazol-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 107124632
2-thiophen-2-yl-1H-imidazole-5-carboxylic acid
CID 62252826
2-(5-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 107124586
2-(5-chloro-1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 107124594
2-(5-fluoro-2-pyridinyl)-1H-imidazole-5-carboxylic acid
CID 79717873
2-(5-chloro-1,3-thiazol-2-yl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 136917806
2-(5-chloroquinolin-8-yl)-1H-imidazole-5-carboxylic acid
CID 112618431
2-methyl-1H-imidazole-5-carboxylic acid;dihydrate
CID 69419539

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-1H-imidazole-5-carboxylic acid (CID 107125453) is 2-(5-chloro-1,3-thiazol-2-yl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-(5-chloro-1,3-thiazol-2-yl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-(5-chloro-1,3-thiazol-2-yl)-1H-imidazole-5-carboxylic acid is O=C(O)c1cnc(-c2ncc(Cl)s2)[nH]1.
What is the InChIKey of 2-(5-chloro-1,3-thiazol-2-yl)-1H-imidazole-5-carboxylic acid?
The InChIKey is AFUHXDWKSXEUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClN3O2S/c8-4-2-10-6(14-4)5-9-1-3(11-5)7(12)13/h1-2H,(H,9,11)(H,12,13).
What are the key properties of 2-(5-chloro-1,3-thiazol-2-yl)-1H-imidazole-5-carboxylic acid?
2-(5-chloro-1,3-thiazol-2-yl)-1H-imidazole-5-carboxylic acid has a molecular weight of 229.65 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-thiazol-2-yl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 107125453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).