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

C10H9FN4OS — CID 47164107

IUPAC2-(4-fluorophenyl)sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1ncn[nH]1
InChIInChI=1S/C10H9FN4OS/c11-7-1-3-8(4-2-7)17-5-9(16)14-10-12-6-13-15-10/h1-4,6H,5H2,(H2,12,13,14,15,16)
InChIKeyLCZNKQMLRAUOIX-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.67
Rot. Bonds4

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

2-(4-fluorophenyl)sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 47164107) has the molecular formula C10H9FN4OS and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID47164107
Molecular FormulaC10H9FN4OS
Molecular Weight252.27 g/mol
Exact Mass252.05
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1ncn[nH]1
InChIInChI=1S/C10H9FN4OS/c11-7-1-3-8(4-2-7)17-5-9(16)14-10-12-6-13-15-10/h1-4,6H,5H2,(H2,12,13,14,15,16)
InChIKeyLCZNKQMLRAUOIX-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 2-(4-fluorophenyl)sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 47164107) is 2-(4-fluorophenyl)sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide is O=C(CSc1ccc(F)cc1)Nc1ncn[nH]1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is LCZNKQMLRAUOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4OS/c11-7-1-3-8(4-2-7)17-5-9(16)14-10-12-6-13-15-10/h1-4,6H,5H2,(H2,12,13,14,15,16).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-(4-fluorophenyl)sulfanyl-N-(1H-1,2,4-triazol-5-yl)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 2-(4-fluorophenyl)sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 47164107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).