4-amino-N-methyl-3-(1-methylimidazol-2-yl)sulfanylbenzamide

C12H14N4OS — CID 63357331

IUPAC4-amino-N-methyl-3-(1-methylimidazol-2-yl)sulfanylbenzamide
SMILESCNC(=O)c1ccc(N)c(Sc2nccn2C)c1
InChIInChI=1S/C12H14N4OS/c1-14-11(17)8-3-4-9(13)10(7-8)18-12-15-5-6-16(12)2/h3-7H,13H2,1-2H3,(H,14,17)
InChIKeyOXTGYTMBVPLFIM-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.51
Rot. Bonds3

About 4-amino-N-methyl-3-(1-methylimidazol-2-yl)sulfanylbenzamide

4-amino-N-methyl-3-(1-methylimidazol-2-yl)sulfanylbenzamide (PubChem CID 63357331) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 4-amino-N-methyl-3-(1-methylimidazol-2-yl)sulfanylbenzamide.

Molecular Properties

Compound Name4-amino-N-methyl-3-(1-methylimidazol-2-yl)sulfanylbenzamide
PubChem CID63357331
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name4-amino-N-methyl-3-(1-methylimidazol-2-yl)sulfanylbenzamide
SMILESCNC(=O)c1ccc(N)c(Sc2nccn2C)c1
InChIInChI=1S/C12H14N4OS/c1-14-11(17)8-3-4-9(13)10(7-8)18-12-15-5-6-16(12)2/h3-7H,13H2,1-2H3,(H,14,17)
InChIKeyOXTGYTMBVPLFIM-UHFFFAOYSA-N
XLogP1.51
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-N-methyl-3-(1-methylimidazol-2-yl)sulfanylbenzamide 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-amino-N-methyl-3-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]benzamide
CID 63357592
4-fluoro-2-(1-methylimidazol-2-yl)sulfanylaniline
CID 62377498
4-amino-N-methyl-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]benzamide
CID 107785632
4-amino-N-methyl-3-pyrimidin-4-ylsulfanylbenzamide
CID 63697796
4-amino-N-methyl-3-(1,3-thiazol-2-ylsulfanyl)benzamide
CID 63357334
4-amino-3-(1-methylimidazol-2-yl)sulfanylbenzenesulfonamide
CID 70273184
4-amino-3-(4-methoxyphenyl)sulfanyl-N-methylbenzamide
CID 63357504
4-amino-N-methyl-3-(7H-purin-6-ylsulfanyl)benzamide
CID 63357462
4-amino-3-(2,5-difluorophenyl)sulfanyl-N-methylbenzamide
CID 63357200
1-[2-amino-5-(1-methylimidazol-2-yl)sulfanylphenyl]ethanone
CID 113433105
4-amino-N-ethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]benzamide
CID 104602752
N-methyl-4-[(E)-3-[4-(1-methylimidazol-2-yl)sulfanylanilino]-3-oxoprop-1-enyl]benzamide
CID 134003335

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-3-(1-methylimidazol-2-yl)sulfanylbenzamide?
The IUPAC name of 4-amino-N-methyl-3-(1-methylimidazol-2-yl)sulfanylbenzamide (CID 63357331) is 4-amino-N-methyl-3-(1-methylimidazol-2-yl)sulfanylbenzamide.
What is the SMILES notation for 4-amino-N-methyl-3-(1-methylimidazol-2-yl)sulfanylbenzamide?
The canonical SMILES for 4-amino-N-methyl-3-(1-methylimidazol-2-yl)sulfanylbenzamide is CNC(=O)c1ccc(N)c(Sc2nccn2C)c1.
What is the InChIKey of 4-amino-N-methyl-3-(1-methylimidazol-2-yl)sulfanylbenzamide?
The InChIKey is OXTGYTMBVPLFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-14-11(17)8-3-4-9(13)10(7-8)18-12-15-5-6-16(12)2/h3-7H,13H2,1-2H3,(H,14,17).
What are the key properties of 4-amino-N-methyl-3-(1-methylimidazol-2-yl)sulfanylbenzamide?
4-amino-N-methyl-3-(1-methylimidazol-2-yl)sulfanylbenzamide has a molecular weight of 262.34 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-3-(1-methylimidazol-2-yl)sulfanylbenzamide is sourced from PubChem (CID 63357331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).