2-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-imidazole-5-carboxylic acid

C9H9N3O2S — CID 96605840

IUPAC2-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-imidazole-5-carboxylic acid
SMILESCc1nc(C)c(-c2ncc(C(=O)O)[nH]2)s1
InChIInChI=1S/C9H9N3O2S/c1-4-7(15-5(2)11-4)8-10-3-6(12-8)9(13)14/h3H,1-2H3,(H,10,12)(H,13,14)
InChIKeyJBFDYUUPPAIIAX-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.85
Rot. Bonds2

About 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-imidazole-5-carboxylic acid

2-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-imidazole-5-carboxylic acid (PubChem CID 96605840) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-imidazole-5-carboxylic acid
PubChem CID96605840
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-imidazole-5-carboxylic acid
SMILESCc1nc(C)c(-c2ncc(C(=O)O)[nH]2)s1
InChIInChI=1S/C9H9N3O2S/c1-4-7(15-5(2)11-4)8-10-3-6(12-8)9(13)14/h3H,1-2H3,(H,10,12)(H,13,14)
InChIKeyJBFDYUUPPAIIAX-UHFFFAOYSA-N
XLogP1.85
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4,6-trimethyl-3-pyridinyl)-1H-imidazole-5-carboxylic acid
CID 141021578
2-(5-methylthiophen-3-yl)-1H-imidazole-5-carboxylic acid
CID 130697506
2-(5-chloro-1,3-thiazol-2-yl)-1H-imidazole-5-carboxylic acid
CID 107125453
2-methyl-1H-imidazole-5-carboxylic acid;dihydrate
CID 69419539
2-phenyl-1H-imidazole-5-carboxylic acid;hydrate
CID 2738138
2-(1,4-dimethylpyrazol-5-yl)-1H-imidazole-5-carboxylic acid
CID 137229426
2-(4-bromo-5-chlorothiophen-2-yl)-1H-imidazole-5-carboxylic acid
CID 102844260
2-thiophen-2-yl-1H-imidazole-5-carboxylic acid
CID 62252826
2-(3-fluoro-4-methylphenyl)-1H-imidazole-5-carboxylic acid
CID 62252489
2-methylsulfinyl-1H-imidazole-5-carboxylic acid
CID 68744708
2-(2,4,6-trimethoxyphenyl)-1H-imidazole-5-carboxylic acid
CID 62252679
2-(5-fluoro-2-pyridinyl)-1H-imidazole-5-carboxylic acid
CID 79717873

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-imidazole-5-carboxylic acid (CID 96605840) is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-imidazole-5-carboxylic acid is Cc1nc(C)c(-c2ncc(C(=O)O)[nH]2)s1.
What is the InChIKey of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-imidazole-5-carboxylic acid?
The InChIKey is JBFDYUUPPAIIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c1-4-7(15-5(2)11-4)8-10-3-6(12-8)9(13)14/h3H,1-2H3,(H,10,12)(H,13,14).
What are the key properties of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-imidazole-5-carboxylic acid?
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-imidazole-5-carboxylic acid has a molecular weight of 223.26 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 96605840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).