N-(2-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

C10H9FN4OS — CID 712244

IUPACN-(2-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)Nc1ccccc1F
InChIInChI=1S/C10H9FN4OS/c11-7-3-1-2-4-8(7)14-9(16)5-17-10-12-6-13-15-10/h1-4,6H,5H2,(H,14,16)(H,12,13,15)
InChIKeyFFLKWFYEJKQMPN-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.67
Rot. Bonds4

About N-(2-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

N-(2-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 712244) has the molecular formula C10H9FN4OS and a molecular weight of 252.27 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID712244
Molecular FormulaC10H9FN4OS
Molecular Weight252.27 g/mol
Exact Mass252.05
IUPAC NameN-(2-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)Nc1ccccc1F
InChIInChI=1S/C10H9FN4OS/c11-7-3-1-2-4-8(7)14-9(16)5-17-10-12-6-13-15-10/h1-4,6H,5H2,(H,14,16)(H,12,13,15)
InChIKeyFFLKWFYEJKQMPN-UHFFFAOYSA-N
XLogP1.67
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 712244) is N-(2-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is O=C(CSc1ncn[nH]1)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is FFLKWFYEJKQMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4OS/c11-7-3-1-2-4-8(7)14-9(16)5-17-10-12-6-13-15-10/h1-4,6H,5H2,(H,14,16)(H,12,13,15).
What are the key properties of N-(2-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N-(2-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 252.27 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 712244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).