(2R)-N-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide

C11H12N4OS — CID 7785038

IUPAC(2R)-N-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
SMILESC[C@@H](Sc1ncn[nH]1)C(=O)Nc1ccccc1
InChIInChI=1S/C11H12N4OS/c1-8(17-11-12-7-13-15-11)10(16)14-9-5-3-2-4-6-9/h2-8H,1H3,(H,14,16)(H,12,13,15)/t8-/m1/s1
InChIKeyZFVZCHMSIFUZIV-MRVPVSSYSA-N
MW248.31 g/mol
LogP1.92
Rot. Bonds4

About (2R)-N-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide

(2R)-N-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide (PubChem CID 7785038) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is (2R)-N-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide.

Molecular Properties

Compound Name(2R)-N-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
PubChem CID7785038
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name(2R)-N-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
SMILESC[C@@H](Sc1ncn[nH]1)C(=O)Nc1ccccc1
InChIInChI=1S/C11H12N4OS/c1-8(17-11-12-7-13-15-11)10(16)14-9-5-3-2-4-6-9/h2-8H,1H3,(H,14,16)(H,12,13,15)/t8-/m1/s1
InChIKeyZFVZCHMSIFUZIV-MRVPVSSYSA-N
XLogP1.92
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-N-phenyl-2-(1H-1,2,4-triazol-5-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

(2R)-N-[4-(dimethylamino)phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 41036926
(2R)-N-(4-cyanophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 7785073
(2R)-N-(2-phenylethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 94184768
(2R)-N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 7785065
N-hydroxy-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 130626422
(2S)-N-(4-phenyl-1,3-thiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 7784999
N-(4-morpholin-4-ylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 17442128
(2R)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 8706909
(2R)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenylpropanamide
CID 7575727
(2S)-N-(2,5-difluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 41112407
N-(2,5-dichlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 18075984
(2S)-N-(4-methoxyphenyl)-2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 41023427

Frequently Asked Questions

What is the IUPAC name of (2R)-N-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide?
The IUPAC name of (2R)-N-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide (CID 7785038) is (2R)-N-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide.
What is the SMILES notation for (2R)-N-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide?
The canonical SMILES for (2R)-N-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide is C[C@@H](Sc1ncn[nH]1)C(=O)Nc1ccccc1.
What is the InChIKey of (2R)-N-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide?
The InChIKey is ZFVZCHMSIFUZIV-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-8(17-11-12-7-13-15-11)10(16)14-9-5-3-2-4-6-9/h2-8H,1H3,(H,14,16)(H,12,13,15)/t8-/m1/s1.
What are the key properties of (2R)-N-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide?
(2R)-N-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide has a molecular weight of 248.31 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide is sourced from PubChem (CID 7785038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).