N-phenyl-2-[[5-pyridin-4-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

C16H12F3N5OS — CID 71006040

IUPACN-phenyl-2-[[5-pyridin-4-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccncc2)n1C(F)(F)F)Nc1ccccc1
InChIInChI=1S/C16H12F3N5OS/c17-16(18,19)24-14(11-6-8-20-9-7-11)22-23-15(24)26-10-13(25)21-12-4-2-1-3-5-12/h1-9H,10H2,(H,21,25)
InChIKeyJKSNMZYLLGFXAO-UHFFFAOYSA-N
MW379.37 g/mol
LogP3.55
Rot. Bonds5

About N-phenyl-2-[[5-pyridin-4-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-phenyl-2-[[5-pyridin-4-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 71006040) has the molecular formula C16H12F3N5OS and a molecular weight of 379.37 g/mol. Its IUPAC name is N-phenyl-2-[[5-pyridin-4-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-phenyl-2-[[5-pyridin-4-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID71006040
Molecular FormulaC16H12F3N5OS
Molecular Weight379.37 g/mol
Exact Mass379.07
IUPAC NameN-phenyl-2-[[5-pyridin-4-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccncc2)n1C(F)(F)F)Nc1ccccc1
InChIInChI=1S/C16H12F3N5OS/c17-16(18,19)24-14(11-6-8-20-9-7-11)22-23-15(24)26-10-13(25)21-12-4-2-1-3-5-12/h1-9H,10H2,(H,21,25)
InChIKeyJKSNMZYLLGFXAO-UHFFFAOYSA-N
XLogP3.55
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-phenyl-2-[[5-pyridin-4-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide 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

2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 1156974
2-[[4-(2-methylsulfanylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 71006038
2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 3181210
2-[[4-(2,2-dimethoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 89182662
4-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid
CID 1243979
N-(4-iodophenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 39918760
2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1156943
N-[3-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]phenyl]benzamide
CID 1439391
N-(4-methoxyphenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1023251
N-(4-bromophenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1150570
2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
CID 2390538
2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dimethylphenyl)acetamide
CID 2087701

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[[5-pyridin-4-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-phenyl-2-[[5-pyridin-4-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 71006040) is N-phenyl-2-[[5-pyridin-4-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-phenyl-2-[[5-pyridin-4-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-phenyl-2-[[5-pyridin-4-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is O=C(CSc1nnc(-c2ccncc2)n1C(F)(F)F)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-[[5-pyridin-4-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is JKSNMZYLLGFXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5OS/c17-16(18,19)24-14(11-6-8-20-9-7-11)22-23-15(24)26-10-13(25)21-12-4-2-1-3-5-12/h1-9H,10H2,(H,21,25).
What are the key properties of N-phenyl-2-[[5-pyridin-4-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-phenyl-2-[[5-pyridin-4-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 379.37 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[[5-pyridin-4-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 71006040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).