N-(5-amino-2-methylphenyl)thiophene-3-carboxamide

C12H12N2OS — CID 16775511

IUPACN-(5-amino-2-methylphenyl)thiophene-3-carboxamide
SMILESCc1ccc(N)cc1NC(=O)c1ccsc1
InChIInChI=1S/C12H12N2OS/c1-8-2-3-10(13)6-11(8)14-12(15)9-4-5-16-7-9/h2-7H,13H2,1H3,(H,14,15)
InChIKeyBUDWBBOZGOUDJH-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.89
Rot. Bonds2

About N-(5-amino-2-methylphenyl)thiophene-3-carboxamide

N-(5-amino-2-methylphenyl)thiophene-3-carboxamide (PubChem CID 16775511) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)thiophene-3-carboxamide
PubChem CID16775511
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC NameN-(5-amino-2-methylphenyl)thiophene-3-carboxamide
SMILESCc1ccc(N)cc1NC(=O)c1ccsc1
InChIInChI=1S/C12H12N2OS/c1-8-2-3-10(13)6-11(8)14-12(15)9-4-5-16-7-9/h2-7H,13H2,1H3,(H,14,15)
InChIKeyBUDWBBOZGOUDJH-UHFFFAOYSA-N
XLogP2.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(5-amino-2-methylphenyl)thiophene-3-carboxamide 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

N-(5-amino-2-methylphenyl)-4-hydroxybenzamide
CID 22291140
N-(2-methyl-5-pyridin-4-ylphenyl)thiophene-3-carboxamide
CID 122136858
N-[4-amino-2-(trifluoromethyl)phenyl]thiophene-3-carboxamide
CID 43548409
N-(5-amino-2-methylphenyl)-3,5-dimethoxybenzamide
CID 16778250
N-(5-amino-2-methylphenyl)-4-(trifluoromethyl)benzamide
CID 24709372
N-(5-amino-2-methylphenyl)pyridazine-4-carboxamide
CID 104669036
N-(5-amino-2-methylphenyl)naphthalene-2-carboxamide
CID 16773401
N-(3-bromo-4-methylphenyl)thiophene-3-carboxamide
CID 55027767
N-(5-amino-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 18072524
N-(5-amino-2-methylphenyl)-4-phenoxybenzamide
CID 57326481
N-(5-amino-2-methylphenyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 106813423
N-(5-amino-2-methylphenyl)-5-bromothiophene-2-carboxamide
CID 18070471

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)thiophene-3-carboxamide?
The IUPAC name of N-(5-amino-2-methylphenyl)thiophene-3-carboxamide (CID 16775511) is N-(5-amino-2-methylphenyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)thiophene-3-carboxamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)thiophene-3-carboxamide is Cc1ccc(N)cc1NC(=O)c1ccsc1.
What is the InChIKey of N-(5-amino-2-methylphenyl)thiophene-3-carboxamide?
The InChIKey is BUDWBBOZGOUDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-8-2-3-10(13)6-11(8)14-12(15)9-4-5-16-7-9/h2-7H,13H2,1H3,(H,14,15).
What are the key properties of N-(5-amino-2-methylphenyl)thiophene-3-carboxamide?
N-(5-amino-2-methylphenyl)thiophene-3-carboxamide has a molecular weight of 232.31 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)thiophene-3-carboxamide is sourced from PubChem (CID 16775511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).