2-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid

C10H9N3O3S — CID 107971161

IUPAC2-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCn1cnc(C(=O)Nc2sccc2C(=O)O)c1
InChIInChI=1S/C10H9N3O3S/c1-13-4-7(11-5-13)8(14)12-9-6(10(15)16)2-3-17-9/h2-5H,1H3,(H,12,14)(H,15,16)
InChIKeyNBOAMNXQAWGTTI-UHFFFAOYSA-N
MW251.27 g/mol
LogP1.43
Rot. Bonds3

About 2-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid

2-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid (PubChem CID 107971161) has the molecular formula C10H9N3O3S and a molecular weight of 251.27 g/mol. Its IUPAC name is 2-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid
PubChem CID107971161
Molecular FormulaC10H9N3O3S
Molecular Weight251.27 g/mol
Exact Mass251.04
IUPAC Name2-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCn1cnc(C(=O)Nc2sccc2C(=O)O)c1
InChIInChI=1S/C10H9N3O3S/c1-13-4-7(11-5-13)8(14)12-9-6(10(15)16)2-3-17-9/h2-5H,1H3,(H,12,14)(H,15,16)
InChIKeyNBOAMNXQAWGTTI-UHFFFAOYSA-N
XLogP1.43
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid (CID 107971161) is 2-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid is Cn1cnc(C(=O)Nc2sccc2C(=O)O)c1.
What is the InChIKey of 2-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid?
The InChIKey is NBOAMNXQAWGTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3S/c1-13-4-7(11-5-13)8(14)12-9-6(10(15)16)2-3-17-9/h2-5H,1H3,(H,12,14)(H,15,16).
What are the key properties of 2-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid?
2-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid has a molecular weight of 251.27 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 107971161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).