2-thiophen-2-yl-1H-imidazole-5-carboxylic acid

C8H6N2O2S — CID 62252826

IUPAC2-thiophen-2-yl-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2cccs2)[nH]1
InChIInChI=1S/C8H6N2O2S/c11-8(12)5-4-9-7(10-5)6-2-1-3-13-6/h1-4H,(H,9,10)(H,11,12)
InChIKeyYWAPWBZHLOOOJV-UHFFFAOYSA-N
MW194.22 g/mol
LogP1.84
Rot. Bonds2

About 2-thiophen-2-yl-1H-imidazole-5-carboxylic acid

2-thiophen-2-yl-1H-imidazole-5-carboxylic acid (PubChem CID 62252826) has the molecular formula C8H6N2O2S and a molecular weight of 194.22 g/mol. Its IUPAC name is 2-thiophen-2-yl-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-thiophen-2-yl-1H-imidazole-5-carboxylic acid
PubChem CID62252826
Molecular FormulaC8H6N2O2S
Molecular Weight194.22 g/mol
Exact Mass194.01
IUPAC Name2-thiophen-2-yl-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2cccs2)[nH]1
InChIInChI=1S/C8H6N2O2S/c11-8(12)5-4-9-7(10-5)6-2-1-3-13-6/h1-4H,(H,9,10)(H,11,12)
InChIKeyYWAPWBZHLOOOJV-UHFFFAOYSA-N
XLogP1.84
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-thiophen-2-yl-1H-imidazole-5-carboxylic acid (CID 62252826) is 2-thiophen-2-yl-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-thiophen-2-yl-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-thiophen-2-yl-1H-imidazole-5-carboxylic acid is O=C(O)c1cnc(-c2cccs2)[nH]1.
What is the InChIKey of 2-thiophen-2-yl-1H-imidazole-5-carboxylic acid?
The InChIKey is YWAPWBZHLOOOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2S/c11-8(12)5-4-9-7(10-5)6-2-1-3-13-6/h1-4H,(H,9,10)(H,11,12).
What are the key properties of 2-thiophen-2-yl-1H-imidazole-5-carboxylic acid?
2-thiophen-2-yl-1H-imidazole-5-carboxylic acid has a molecular weight of 194.22 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 62252826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).