3-amino-5-(1-methylindol-3-yl)thiophene-2-carboxylic acid

C14H12N2O2S — CID 82306347

IUPAC3-amino-5-(1-methylindol-3-yl)thiophene-2-carboxylic acid
SMILESCn1cc(-c2cc(N)c(C(=O)O)s2)c2ccccc21
InChIInChI=1S/C14H12N2O2S/c1-16-7-9(8-4-2-3-5-11(8)16)12-6-10(15)13(19-12)14(17)18/h2-7H,15H2,1H3,(H,17,18)
InChIKeyHMVKFOUUFBSLRW-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.19
Rot. Bonds2

About 3-amino-5-(1-methylindol-3-yl)thiophene-2-carboxylic acid

3-amino-5-(1-methylindol-3-yl)thiophene-2-carboxylic acid (PubChem CID 82306347) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-amino-5-(1-methylindol-3-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-(1-methylindol-3-yl)thiophene-2-carboxylic acid
PubChem CID82306347
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name3-amino-5-(1-methylindol-3-yl)thiophene-2-carboxylic acid
SMILESCn1cc(-c2cc(N)c(C(=O)O)s2)c2ccccc21
InChIInChI=1S/C14H12N2O2S/c1-16-7-9(8-4-2-3-5-11(8)16)12-6-10(15)13(19-12)14(17)18/h2-7H,15H2,1H3,(H,17,18)
InChIKeyHMVKFOUUFBSLRW-UHFFFAOYSA-N
XLogP3.19
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-5-(1-methylindol-3-yl)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

2-amino-4-(1-methylindol-3-yl)-1,3-thiazole-5-carboxylic acid
CID 82306655
3-amino-5-(2-methylphenyl)thiophene-2-carboxylic acid
CID 83035559
5-methyl-4-(1-methylindol-3-yl)thiophen-2-amine
CID 82477886
2-(1-methylindol-3-yl)aniline
CID 138983733
3-amino-5-(2-fluoro-5-methylphenyl)thiophene-2-carboxylic acid
CID 83035353
2-methyl-6-(1-methylindol-3-yl)pyrimidine-4-carboxylic acid
CID 82304798
1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole
CID 141098979
5-(1-methylindol-3-yl)-1H-imidazole-2-carboxylic acid
CID 116884476
2-(1-methylindol-3-yl)phenol
CID 154709769
4-hydroxy-3-methoxy-5-(1-methylindol-3-yl)benzoic acid
CID 82039848
3-amino-5-(furan-3-yl)thiophene-2-carboxylic acid
CID 83034402
3-amino-5-(2-bromo-4-chlorophenyl)thiophene-2-carboxylic acid
CID 107989286

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(1-methylindol-3-yl)thiophene-2-carboxylic acid?
The IUPAC name of 3-amino-5-(1-methylindol-3-yl)thiophene-2-carboxylic acid (CID 82306347) is 3-amino-5-(1-methylindol-3-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-amino-5-(1-methylindol-3-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-amino-5-(1-methylindol-3-yl)thiophene-2-carboxylic acid is Cn1cc(-c2cc(N)c(C(=O)O)s2)c2ccccc21.
What is the InChIKey of 3-amino-5-(1-methylindol-3-yl)thiophene-2-carboxylic acid?
The InChIKey is HMVKFOUUFBSLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-16-7-9(8-4-2-3-5-11(8)16)12-6-10(15)13(19-12)14(17)18/h2-7H,15H2,1H3,(H,17,18).
What are the key properties of 3-amino-5-(1-methylindol-3-yl)thiophene-2-carboxylic acid?
3-amino-5-(1-methylindol-3-yl)thiophene-2-carboxylic acid has a molecular weight of 272.33 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(1-methylindol-3-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 82306347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).