5-[(1-cyclopropylpyrrole-2-carbonyl)amino]thiophene-2-carboxylic acid

C13H12N2O3S — CID 43639320

IUPAC5-[(1-cyclopropylpyrrole-2-carbonyl)amino]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2cccn2C2CC2)s1
InChIInChI=1S/C13H12N2O3S/c16-12(9-2-1-7-15(9)8-3-4-8)14-11-6-5-10(19-11)13(17)18/h1-2,5-8H,3-4H2,(H,14,16)(H,17,18)
InChIKeyNCRALXMLUWJZJT-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.84
Rot. Bonds4

About 5-[(1-cyclopropylpyrrole-2-carbonyl)amino]thiophene-2-carboxylic acid

5-[(1-cyclopropylpyrrole-2-carbonyl)amino]thiophene-2-carboxylic acid (PubChem CID 43639320) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 5-[(1-cyclopropylpyrrole-2-carbonyl)amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1-cyclopropylpyrrole-2-carbonyl)amino]thiophene-2-carboxylic acid
PubChem CID43639320
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name5-[(1-cyclopropylpyrrole-2-carbonyl)amino]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2cccn2C2CC2)s1
InChIInChI=1S/C13H12N2O3S/c16-12(9-2-1-7-15(9)8-3-4-8)14-11-6-5-10(19-11)13(17)18/h1-2,5-8H,3-4H2,(H,14,16)(H,17,18)
InChIKeyNCRALXMLUWJZJT-UHFFFAOYSA-N
XLogP2.84
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(1-cyclopropylpyrrole-2-carbonyl)amino]thiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1-cyclopropylpyrrole-2-carbonyl)amino]benzoic acid
CID 43639269
5-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]thiophene-2-carboxylic acid
CID 114608677
4-[(1-cyclobutylpyrrole-2-carbonyl)amino]benzoic acid
CID 114608562
2-[2-[(1-cyclopropylpyrrole-2-carbonyl)amino]phenyl]acetic acid
CID 62535726
3-[2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-1,3-thiazol-5-yl]prop-2-enoic acid
CID 76907533
1-cyclobutyl-N-(4-iodophenyl)pyrrole-2-carboxamide
CID 114609194
1-cyclopropyl-N-(3-hydroxyphenyl)pyrrole-2-carboxamide
CID 43639337
4-[(1-cyclopropylpyrrole-2-carbonyl)amino]-3-methylbenzoic acid
CID 43639295
2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-5-methylbenzoic acid
CID 43639305
1-cyclopropyl-N-ethylpyrrole-2-carboxamide
CID 130688583
1-cyclopropyl-N-methoxypyrrole-2-carboxamide
CID 130688562
N-(2-aminophenyl)-1-cyclobutylpyrrole-2-carboxamide
CID 114610041

Frequently Asked Questions

What is the IUPAC name of 5-[(1-cyclopropylpyrrole-2-carbonyl)amino]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(1-cyclopropylpyrrole-2-carbonyl)amino]thiophene-2-carboxylic acid (CID 43639320) is 5-[(1-cyclopropylpyrrole-2-carbonyl)amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(1-cyclopropylpyrrole-2-carbonyl)amino]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(1-cyclopropylpyrrole-2-carbonyl)amino]thiophene-2-carboxylic acid is O=C(O)c1ccc(NC(=O)c2cccn2C2CC2)s1.
What is the InChIKey of 5-[(1-cyclopropylpyrrole-2-carbonyl)amino]thiophene-2-carboxylic acid?
The InChIKey is NCRALXMLUWJZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c16-12(9-2-1-7-15(9)8-3-4-8)14-11-6-5-10(19-11)13(17)18/h1-2,5-8H,3-4H2,(H,14,16)(H,17,18).
What are the key properties of 5-[(1-cyclopropylpyrrole-2-carbonyl)amino]thiophene-2-carboxylic acid?
5-[(1-cyclopropylpyrrole-2-carbonyl)amino]thiophene-2-carboxylic acid has a molecular weight of 276.32 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-cyclopropylpyrrole-2-carbonyl)amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 43639320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).