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

C11H11FN4OS — CID 54885282

IUPAC2-(2-fluorophenyl)sulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESO=C(CSc1ccccc1F)NCc1ncn[nH]1
InChIInChI=1S/C11H11FN4OS/c12-8-3-1-2-4-9(8)18-6-11(17)13-5-10-14-7-15-16-10/h1-4,7H,5-6H2,(H,13,17)(H,14,15,16)
InChIKeyYBYYCYQVSIRNGE-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.35
Rot. Bonds5

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

2-(2-fluorophenyl)sulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (PubChem CID 54885282) has the molecular formula C11H11FN4OS and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
PubChem CID54885282
Molecular FormulaC11H11FN4OS
Molecular Weight266.30 g/mol
Exact Mass266.06
IUPAC Name2-(2-fluorophenyl)sulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESO=C(CSc1ccccc1F)NCc1ncn[nH]1
InChIInChI=1S/C11H11FN4OS/c12-8-3-1-2-4-9(8)18-6-11(17)13-5-10-14-7-15-16-10/h1-4,7H,5-6H2,(H,13,17)(H,14,15,16)
InChIKeyYBYYCYQVSIRNGE-UHFFFAOYSA-N
XLogP1.35
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (CID 54885282) is 2-(2-fluorophenyl)sulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is O=C(CSc1ccccc1F)NCc1ncn[nH]1.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The InChIKey is YBYYCYQVSIRNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4OS/c12-8-3-1-2-4-9(8)18-6-11(17)13-5-10-14-7-15-16-10/h1-4,7H,5-6H2,(H,13,17)(H,14,15,16).
What are the key properties of 2-(2-fluorophenyl)sulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
2-(2-fluorophenyl)sulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide has a molecular weight of 266.30 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is sourced from PubChem (CID 54885282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).