4-(2,3-dimethylanilino)thiophene-3-carboxylic acid

C13H13NO2S — CID 151566015

IUPAC4-(2,3-dimethylanilino)thiophene-3-carboxylic acid
SMILESCc1cccc(Nc2cscc2C(=O)O)c1C
InChIInChI=1S/C13H13NO2S/c1-8-4-3-5-11(9(8)2)14-12-7-17-6-10(12)13(15)16/h3-7,14H,1-2H3,(H,15,16)
InChIKeyQDLLQLPCGZKMQW-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.81
Rot. Bonds3

About 4-(2,3-dimethylanilino)thiophene-3-carboxylic acid

4-(2,3-dimethylanilino)thiophene-3-carboxylic acid (PubChem CID 151566015) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 4-(2,3-dimethylanilino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-(2,3-dimethylanilino)thiophene-3-carboxylic acid
PubChem CID151566015
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name4-(2,3-dimethylanilino)thiophene-3-carboxylic acid
SMILESCc1cccc(Nc2cscc2C(=O)O)c1C
InChIInChI=1S/C13H13NO2S/c1-8-4-3-5-11(9(8)2)14-12-7-17-6-10(12)13(15)16/h3-7,14H,1-2H3,(H,15,16)
InChIKeyQDLLQLPCGZKMQW-UHFFFAOYSA-N
XLogP3.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2,3-dimethylanilino)thiophene-3-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-(2-chloro-3-methylanilino)thiophene-3-carboxylic acid
CID 3014942
CID 10739949
CID 10739949
4-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 82371184
bis(2-(2,3-dimethylanilino)benzoic acid);4-[(E)-2-pyridin-4-ylethenyl]pyridine
CID 139205083
2-[2-(2,3-dimethylphenyl)hydrazinyl]benzoic acid
CID 163528026
deuterio 2-(2,3-dimethylanilino)benzoate
CID 175757896
2-[2-(2,3-dimethylanilino)phenyl]acetic acid
CID 14762938
2,3-dimethyl-N-phenylaniline
CID 14952469
copper 2-(2,3-dimethylanilino)benzoate
CID 135564277
5-amino-3-chloro-2-(2,3-dimethylanilino)benzoic acid
CID 107193418
5-(2,3-dimethylanilino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 63536970
4-(2,3-dimethylanilino)benzoyl chloride
CID 71393538

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylanilino)thiophene-3-carboxylic acid?
The IUPAC name of 4-(2,3-dimethylanilino)thiophene-3-carboxylic acid (CID 151566015) is 4-(2,3-dimethylanilino)thiophene-3-carboxylic acid.
What is the SMILES notation for 4-(2,3-dimethylanilino)thiophene-3-carboxylic acid?
The canonical SMILES for 4-(2,3-dimethylanilino)thiophene-3-carboxylic acid is Cc1cccc(Nc2cscc2C(=O)O)c1C.
What is the InChIKey of 4-(2,3-dimethylanilino)thiophene-3-carboxylic acid?
The InChIKey is QDLLQLPCGZKMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-8-4-3-5-11(9(8)2)14-12-7-17-6-10(12)13(15)16/h3-7,14H,1-2H3,(H,15,16).
What are the key properties of 4-(2,3-dimethylanilino)thiophene-3-carboxylic acid?
4-(2,3-dimethylanilino)thiophene-3-carboxylic acid has a molecular weight of 247.32 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylanilino)thiophene-3-carboxylic acid is sourced from PubChem (CID 151566015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).