2-[(5-amino-2-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-phenylacetamide

C17H17N5OS — CID 715162

IUPAC2-[(5-amino-2-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CSc1nc(N)nn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17N5OS/c1-21(13-8-4-2-5-9-13)15(23)12-24-17-19-16(18)20-22(17)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H2,18,20)
InChIKeyPLAZEIXTUPQVGE-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.60
Rot. Bonds5

About 2-[(5-amino-2-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-phenylacetamide

2-[(5-amino-2-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-phenylacetamide (PubChem CID 715162) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-[(5-amino-2-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[(5-amino-2-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-phenylacetamide
PubChem CID715162
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name2-[(5-amino-2-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CSc1nc(N)nn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17N5OS/c1-21(13-8-4-2-5-9-13)15(23)12-24-17-19-16(18)20-22(17)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H2,18,20)
InChIKeyPLAZEIXTUPQVGE-UHFFFAOYSA-N
XLogP2.60
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(5-amino-2-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-phenylacetamide 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-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 702136
N-(3-Amino-phenyl)-2-(5-methyl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 859409
N-methyl-N-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2408253
N-(2-fluorophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2661072
5-(isopropylthio)-4-phenyl-4H-1,2,4-triazol-3-yl N,N-dimethylcarbamate
CID 2743362
N-benzyl-2-[[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-1-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2974484
[(5-anilino-4-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid
CID 746318
2-{[1-(2-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 4893291
N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-N-methylacetamide
CID 801188
5-{[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio}-4-phenyl-4H-1,2,4-triazol-3-amine
CID 980303
Cambridge id 5144174
CID 1069049
N-(4-Acetylamino-phenyl)-2-[1-(4-fluoro-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 1075034

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[(5-amino-2-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-phenylacetamide (CID 715162) is 2-[(5-amino-2-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[(5-amino-2-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[(5-amino-2-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-phenylacetamide is CN(C(=O)CSc1nc(N)nn1-c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(5-amino-2-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-phenylacetamide?
The InChIKey is PLAZEIXTUPQVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-21(13-8-4-2-5-9-13)15(23)12-24-17-19-16(18)20-22(17)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H2,18,20).
What are the key properties of 2-[(5-amino-2-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-phenylacetamide?
2-[(5-amino-2-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-phenylacetamide has a molecular weight of 339.42 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 715162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).