2-(1H-1,2,4-triazol-5-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide

C11H9F3N4OS — CID 704548

IUPAC2-(1H-1,2,4-triazol-5-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1ncn[nH]1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C11H9F3N4OS/c12-11(13,14)7-3-1-2-4-8(7)17-9(19)5-20-10-15-6-16-18-10/h1-4,6H,5H2,(H,17,19)(H,15,16,18)
InChIKeyABVMIOMXIGXOOQ-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.55
Rot. Bonds4

About 2-(1H-1,2,4-triazol-5-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide

2-(1H-1,2,4-triazol-5-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 704548) has the molecular formula C11H9F3N4OS and a molecular weight of 302.28 g/mol. Its IUPAC name is 2-(1H-1,2,4-triazol-5-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1H-1,2,4-triazol-5-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID704548
Molecular FormulaC11H9F3N4OS
Molecular Weight302.28 g/mol
Exact Mass302.04
IUPAC Name2-(1H-1,2,4-triazol-5-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1ncn[nH]1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C11H9F3N4OS/c12-11(13,14)7-3-1-2-4-8(7)17-9(19)5-20-10-15-6-16-18-10/h1-4,6H,5H2,(H,17,19)(H,15,16,18)
InChIKeyABVMIOMXIGXOOQ-UHFFFAOYSA-N
XLogP2.55
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylphenyl)carbamoyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 162284145
2-[[5-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3387678
N-(3-chloro-2-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide;hydrochloride
CID 45054225
N-cyclopentyl-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide
CID 7784903
N-(2-amino-5-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 43612048
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 134003648
N-(4-bromo-2-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2343370
2-(6-phenylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16876411
2-(2-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7761217
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7250950
2-(thiatriazol-5-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 43815706
3-[5-oxo-3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-4H-1,2,4-triazin-6-yl]propanoic acid
CID 135560925

Frequently Asked Questions

What is the IUPAC name of 2-(1H-1,2,4-triazol-5-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(1H-1,2,4-triazol-5-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 704548) is 2-(1H-1,2,4-triazol-5-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(1H-1,2,4-triazol-5-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(1H-1,2,4-triazol-5-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(CSc1ncn[nH]1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(1H-1,2,4-triazol-5-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ABVMIOMXIGXOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4OS/c12-11(13,14)7-3-1-2-4-8(7)17-9(19)5-20-10-15-6-16-18-10/h1-4,6H,5H2,(H,17,19)(H,15,16,18).
What are the key properties of 2-(1H-1,2,4-triazol-5-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(1H-1,2,4-triazol-5-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 302.28 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-1,2,4-triazol-5-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 704548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).