2-(5-methylthiophen-3-yl)-1H-imidazole-5-carboxylic acid

C9H8N2O2S — CID 130697506

IUPAC2-(5-methylthiophen-3-yl)-1H-imidazole-5-carboxylic acid
SMILESCc1cc(-c2ncc(C(=O)O)[nH]2)cs1
InChIInChI=1S/C9H8N2O2S/c1-5-2-6(4-14-5)8-10-3-7(11-8)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKeyZSWIWAUSFONEET-UHFFFAOYSA-N
MW208.24 g/mol
LogP2.14
Rot. Bonds2

About 2-(5-methylthiophen-3-yl)-1H-imidazole-5-carboxylic acid

2-(5-methylthiophen-3-yl)-1H-imidazole-5-carboxylic acid (PubChem CID 130697506) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 2-(5-methylthiophen-3-yl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(5-methylthiophen-3-yl)-1H-imidazole-5-carboxylic acid
PubChem CID130697506
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name2-(5-methylthiophen-3-yl)-1H-imidazole-5-carboxylic acid
SMILESCc1cc(-c2ncc(C(=O)O)[nH]2)cs1
InChIInChI=1S/C9H8N2O2S/c1-5-2-6(4-14-5)8-10-3-7(11-8)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKeyZSWIWAUSFONEET-UHFFFAOYSA-N
XLogP2.14
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethoxyphenyl)-1H-imidazole-5-carboxylic acid
CID 62250258
2-(3-fluoro-4-methylphenyl)-1H-imidazole-5-carboxylic acid
CID 62252489
2-phenyl-1H-imidazole-5-carboxylic acid;hydrate
CID 2738138
2-(3-ethoxyphenyl)-1H-imidazole-5-carboxylic acid
CID 62252661
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-imidazole-5-carboxylic acid
CID 96605840
2-(2,4,6-trimethyl-3-pyridinyl)-1H-imidazole-5-carboxylic acid
CID 141021578
2-(5-chloro-1,3-thiazol-2-yl)-1H-imidazole-5-carboxylic acid
CID 107125453
2-thiophen-2-yl-1H-imidazole-5-carboxylic acid
CID 62252826
2-methyl-1H-imidazole-5-carboxylic acid;dihydrate
CID 69419539
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-(2,4,6-trimethoxyphenyl)-1H-imidazole-5-carboxylic acid
CID 62252679

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-3-yl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-(5-methylthiophen-3-yl)-1H-imidazole-5-carboxylic acid (CID 130697506) is 2-(5-methylthiophen-3-yl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-(5-methylthiophen-3-yl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-(5-methylthiophen-3-yl)-1H-imidazole-5-carboxylic acid is Cc1cc(-c2ncc(C(=O)O)[nH]2)cs1.
What is the InChIKey of 2-(5-methylthiophen-3-yl)-1H-imidazole-5-carboxylic acid?
The InChIKey is ZSWIWAUSFONEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c1-5-2-6(4-14-5)8-10-3-7(11-8)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-(5-methylthiophen-3-yl)-1H-imidazole-5-carboxylic acid?
2-(5-methylthiophen-3-yl)-1H-imidazole-5-carboxylic acid has a molecular weight of 208.24 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-3-yl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 130697506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).