2-methyl-N-[(1R)-2-methyl-1-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propyl]benzamide

C15H20N4OS — CID 97036896

IUPAC2-methyl-N-[(1R)-2-methyl-1-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propyl]benzamide
SMILESCc1ccccc1C(=O)N[C@@H](c1n[nH]c(=S)n1C)C(C)C
InChIInChI=1S/C15H20N4OS/c1-9(2)12(13-17-18-15(21)19(13)4)16-14(20)11-8-6-5-7-10(11)3/h5-9,12H,1-4H3,(H,16,20)(H,18,21)/t12-/m1/s1
InChIKeyBGAIUEGZESFLDB-GFCCVEGCSA-N
MW304.42 g/mol
LogP2.91
Rot. Bonds4

About 2-methyl-N-[(1R)-2-methyl-1-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propyl]benzamide

2-methyl-N-[(1R)-2-methyl-1-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propyl]benzamide (PubChem CID 97036896) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-methyl-N-[(1R)-2-methyl-1-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(1R)-2-methyl-1-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propyl]benzamide
PubChem CID97036896
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name2-methyl-N-[(1R)-2-methyl-1-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propyl]benzamide
SMILESCc1ccccc1C(=O)N[C@@H](c1n[nH]c(=S)n1C)C(C)C
InChIInChI=1S/C15H20N4OS/c1-9(2)12(13-17-18-15(21)19(13)4)16-14(20)11-8-6-5-7-10(11)3/h5-9,12H,1-4H3,(H,16,20)(H,18,21)/t12-/m1/s1
InChIKeyBGAIUEGZESFLDB-GFCCVEGCSA-N
XLogP2.91
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[(1R)-2-methyl-1-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propyl]benzamide 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-fluoro-N-[(1S)-2-methyl-1-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propyl]benzamide
CID 7321209
2-fluoro-N-[(1S)-2-methyl-1-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propyl]benzamide
CID 51894719
2-fluoro-N-[(1R)-2-methyl-1-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propyl]benzamide
CID 51894721
2-methyl-N-[(1S)-1-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]benzamide
CID 1092809
N-[(1S)-1-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-methylpropyl]benzamide
CID 1092763
(2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoic acid
CID 2393671
N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-methylbenzamide
CID 1092803
2-methyl-N-[(1S)-2-methyl-1-[4-methyl-5-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]benzamide
CID 41140574
ethane;2-methyl-N-propan-2-ylbenzamide
CID 164554205
2-methyl-N-[(1R,2S)-2-[(2-methylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide
CID 76971075
1-[(2-methylbenzoyl)amino]ethylphosphanide
CID 156861334
2,3-dimethyl-N-[(1S)-2-methyl-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]benzamide
CID 95774709

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R)-2-methyl-1-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propyl]benzamide?
The IUPAC name of 2-methyl-N-[(1R)-2-methyl-1-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propyl]benzamide (CID 97036896) is 2-methyl-N-[(1R)-2-methyl-1-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propyl]benzamide.
What is the SMILES notation for 2-methyl-N-[(1R)-2-methyl-1-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propyl]benzamide?
The canonical SMILES for 2-methyl-N-[(1R)-2-methyl-1-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propyl]benzamide is Cc1ccccc1C(=O)N[C@@H](c1n[nH]c(=S)n1C)C(C)C.
What is the InChIKey of 2-methyl-N-[(1R)-2-methyl-1-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propyl]benzamide?
The InChIKey is BGAIUEGZESFLDB-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-9(2)12(13-17-18-15(21)19(13)4)16-14(20)11-8-6-5-7-10(11)3/h5-9,12H,1-4H3,(H,16,20)(H,18,21)/t12-/m1/s1.
What are the key properties of 2-methyl-N-[(1R)-2-methyl-1-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propyl]benzamide?
2-methyl-N-[(1R)-2-methyl-1-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propyl]benzamide has a molecular weight of 304.42 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R)-2-methyl-1-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propyl]benzamide is sourced from PubChem (CID 97036896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).