N-(3-amino-2-methylphenyl)-2-(1H-imidazol-2-ylsulfanyl)propanamide

C13H16N4OS — CID 107779802

IUPACN-(3-amino-2-methylphenyl)-2-(1H-imidazol-2-ylsulfanyl)propanamide
SMILESCc1c(N)cccc1NC(=O)C(C)Sc1ncc[nH]1
InChIInChI=1S/C13H16N4OS/c1-8-10(14)4-3-5-11(8)17-12(18)9(2)19-13-15-6-7-16-13/h3-7,9H,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyGGSSUUWUXQYZTL-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.42
Rot. Bonds4

About N-(3-amino-2-methylphenyl)-2-(1H-imidazol-2-ylsulfanyl)propanamide

N-(3-amino-2-methylphenyl)-2-(1H-imidazol-2-ylsulfanyl)propanamide (PubChem CID 107779802) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-2-(1H-imidazol-2-ylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-2-(1H-imidazol-2-ylsulfanyl)propanamide
PubChem CID107779802
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC NameN-(3-amino-2-methylphenyl)-2-(1H-imidazol-2-ylsulfanyl)propanamide
SMILESCc1c(N)cccc1NC(=O)C(C)Sc1ncc[nH]1
InChIInChI=1S/C13H16N4OS/c1-8-10(14)4-3-5-11(8)17-12(18)9(2)19-13-15-6-7-16-13/h3-7,9H,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyGGSSUUWUXQYZTL-UHFFFAOYSA-N
XLogP2.42
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-amino-2-methylphenyl)-2-(1H-imidazol-2-ylsulfanyl)propanamide 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-(3-amino-2-methylphenyl)-2-pyrimidin-2-ylsulfanylpropanamide
CID 43188427
N-(3-amino-2-methylphenyl)-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 62897712
N-(3-amino-2-methylphenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 115382819
N-(3-amino-2-methylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 106922306
(2R)-N-(2,3-dimethylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 7575734
(2S)-2-(1H-imidazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)propanamide
CID 96526260
N-(3-amino-2-methylphenyl)-2-(2-methylimidazol-1-yl)propanamide
CID 16782472
(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3-dimethylphenyl)propanamide
CID 42270862
1-(4-fluorophenyl)-2-(1H-imidazol-2-ylsulfanyl)propan-1-one
CID 103705487
1-(2,5-dimethylphenyl)-2-(1H-imidazol-2-ylsulfanyl)propan-1-one
CID 103705523
N-(3-amino-2-methylphenyl)-2-(diethylamino)propanamide
CID 16779035
(3-amino-2-methylphenyl)urea
CID 16770559

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-2-(1H-imidazol-2-ylsulfanyl)propanamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-2-(1H-imidazol-2-ylsulfanyl)propanamide (CID 107779802) is N-(3-amino-2-methylphenyl)-2-(1H-imidazol-2-ylsulfanyl)propanamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-2-(1H-imidazol-2-ylsulfanyl)propanamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-2-(1H-imidazol-2-ylsulfanyl)propanamide is Cc1c(N)cccc1NC(=O)C(C)Sc1ncc[nH]1.
What is the InChIKey of N-(3-amino-2-methylphenyl)-2-(1H-imidazol-2-ylsulfanyl)propanamide?
The InChIKey is GGSSUUWUXQYZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-8-10(14)4-3-5-11(8)17-12(18)9(2)19-13-15-6-7-16-13/h3-7,9H,14H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of N-(3-amino-2-methylphenyl)-2-(1H-imidazol-2-ylsulfanyl)propanamide?
N-(3-amino-2-methylphenyl)-2-(1H-imidazol-2-ylsulfanyl)propanamide has a molecular weight of 276.37 g/mol, XLogP of 2.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylphenyl)-2-(1H-imidazol-2-ylsulfanyl)propanamide is sourced from PubChem (CID 107779802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).