3-[(2-methylindol-1-yl)methyl]thiophene-2-carboxylic acid

C15H13NO2S — CID 63641581

IUPAC3-[(2-methylindol-1-yl)methyl]thiophene-2-carboxylic acid
SMILESCc1cc2ccccc2n1Cc1ccsc1C(=O)O
InChIInChI=1S/C15H13NO2S/c1-10-8-11-4-2-3-5-13(11)16(10)9-12-6-7-19-14(12)15(17)18/h2-8H,9H2,1H3,(H,17,18)
InChIKeyJMRPQZGYDQPBRH-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.76
Rot. Bonds3

About 3-[(2-methylindol-1-yl)methyl]thiophene-2-carboxylic acid

3-[(2-methylindol-1-yl)methyl]thiophene-2-carboxylic acid (PubChem CID 63641581) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-[(2-methylindol-1-yl)methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methylindol-1-yl)methyl]thiophene-2-carboxylic acid
PubChem CID63641581
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name3-[(2-methylindol-1-yl)methyl]thiophene-2-carboxylic acid
SMILESCc1cc2ccccc2n1Cc1ccsc1C(=O)O
InChIInChI=1S/C15H13NO2S/c1-10-8-11-4-2-3-5-13(11)16(10)9-12-6-7-19-14(12)15(17)18/h2-8H,9H2,1H3,(H,17,18)
InChIKeyJMRPQZGYDQPBRH-UHFFFAOYSA-N
XLogP3.76
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(2-methylindol-1-yl)methyl]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

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylindol-1-yl)methyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(2-methylindol-1-yl)methyl]thiophene-2-carboxylic acid (CID 63641581) is 3-[(2-methylindol-1-yl)methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(2-methylindol-1-yl)methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(2-methylindol-1-yl)methyl]thiophene-2-carboxylic acid is Cc1cc2ccccc2n1Cc1ccsc1C(=O)O.
What is the InChIKey of 3-[(2-methylindol-1-yl)methyl]thiophene-2-carboxylic acid?
The InChIKey is JMRPQZGYDQPBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-10-8-11-4-2-3-5-13(11)16(10)9-12-6-7-19-14(12)15(17)18/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 3-[(2-methylindol-1-yl)methyl]thiophene-2-carboxylic acid?
3-[(2-methylindol-1-yl)methyl]thiophene-2-carboxylic acid has a molecular weight of 271.34 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylindol-1-yl)methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63641581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).