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

C11H9ClF3N5OS — CID 24687569

IUPAC2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
SMILESNc1nc(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)n[nH]1
InChIInChI=1S/C11H9ClF3N5OS/c12-5-1-2-7(6(3-5)11(13,14)15)17-8(21)4-22-10-18-9(16)19-20-10/h1-3H,4H2,(H,17,21)(H3,16,18,19,20)
InChIKeyYBHXDLQVGNNOAK-UHFFFAOYSA-N
MW351.74 g/mol
LogP2.79
Rot. Bonds4

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

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide (PubChem CID 24687569) has the molecular formula C11H9ClF3N5OS and a molecular weight of 351.74 g/mol. Its IUPAC name is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
PubChem CID24687569
Molecular FormulaC11H9ClF3N5OS
Molecular Weight351.74 g/mol
Exact Mass351.02
IUPAC Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
SMILESNc1nc(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)n[nH]1
InChIInChI=1S/C11H9ClF3N5OS/c12-5-1-2-7(6(3-5)11(13,14)15)17-8(21)4-22-10-18-9(16)19-20-10/h1-3H,4H2,(H,17,21)(H3,16,18,19,20)
InChIKeyYBHXDLQVGNNOAK-UHFFFAOYSA-N
XLogP2.79
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.74
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]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

N-(4-chlorophenyl)-5-{[(2-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-amine
CID 9840663
N-(4-chlorophenyl)-5-{[(3,4-difluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-amine
CID 9906523
1-[4-Chloro-2-(trifluoromethyl)phenyl]-3-(3-prop-2-enylsulfanyl-1,2,4-thiadiazol-5-yl)urea
CID 4990243
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chloro-2-methylphenyl)acetamide
CID 2455927
2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide
CID 698450
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide
CID 2439139
N-(3-Chloro-2-methylphenyl)-2-(4H-1,2,4-triazol-3-ylthio)acetamide hydrochloride
CID 45054225
2-{[1-(4-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1132116
2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1266429
2-(4H-1,2,4-triazol-3-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 704548
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide
CID 716900
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 852258

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide (CID 24687569) is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide is Nc1nc(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)n[nH]1.
What is the InChIKey of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YBHXDLQVGNNOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N5OS/c12-5-1-2-7(6(3-5)11(13,14)15)17-8(21)4-22-10-18-9(16)19-20-10/h1-3H,4H2,(H,17,21)(H3,16,18,19,20).
What are the key properties of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide?
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 351.74 g/mol, XLogP of 2.79, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 24687569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).