2-amino-4,5-dimethylthiophene-3-carboxamide

C7H10N2OS — CID 592827

IUPAC2-amino-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(N)c(C(N)=O)c1C
InChIInChI=1S/C7H10N2OS/c1-3-4(2)11-7(9)5(3)6(8)10/h9H2,1-2H3,(H2,8,10)
InChIKeyZKXSEMXZKAQARN-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.05
Rot. Bonds1

About 2-amino-4,5-dimethylthiophene-3-carboxamide

2-amino-4,5-dimethylthiophene-3-carboxamide (PubChem CID 592827) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 2-amino-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-4,5-dimethylthiophene-3-carboxamide
PubChem CID592827
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name2-amino-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(N)c(C(N)=O)c1C
InChIInChI=1S/C7H10N2OS/c1-3-4(2)11-7(9)5(3)6(8)10/h9H2,1-2H3,(H2,8,10)
InChIKeyZKXSEMXZKAQARN-UHFFFAOYSA-N
XLogP1.05
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

Analyze 2-amino-4,5-dimethylthiophene-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

2-amino-4H,5H,6H,7H,8H-cyclohepta(b)thiophene-3-carboxamide
CID 2997881
2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 290223
2-amino-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide
CID 596881
2-Amino-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 611038
2-Amino-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 614439
2-Amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2852749
2-Amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2861874
2-Amino-4,5,6,7-tetrahydro-6-propylbenzo(b)thiophene-3-carboxamide
CID 2887357
Methyl 3-(aminocarbonyl)-4-ethyl-5-methyl-2-thienylcarbamate
CID 898958
4,5-Dimethyl-2-[(trifluoroacetyl)amino]thiophene-3-carboxamide
CID 922256
2-Amino-5-ethylthiophene-3-carboxamide
CID 3253115
2-Amino-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide
CID 2887407

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of 2-amino-4,5-dimethylthiophene-3-carboxamide (CID 592827) is 2-amino-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-amino-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for 2-amino-4,5-dimethylthiophene-3-carboxamide is Cc1sc(N)c(C(N)=O)c1C.
What is the InChIKey of 2-amino-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is ZKXSEMXZKAQARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-3-4(2)11-7(9)5(3)6(8)10/h9H2,1-2H3,(H2,8,10).
What are the key properties of 2-amino-4,5-dimethylthiophene-3-carboxamide?
2-amino-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 170.24 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 592827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).