N-cyclopropyl-2-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

C13H13FN4OS — CID 9463148

IUPACN-cyclopropyl-2-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESO=C(CSc1nncn1-c1ccccc1F)NC1CC1
InChIInChI=1S/C13H13FN4OS/c14-10-3-1-2-4-11(10)18-8-15-17-13(18)20-7-12(19)16-9-5-6-9/h1-4,8-9H,5-7H2,(H,16,19)
InChIKeySEPWSFRVRAQJEX-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.78
Rot. Bonds5

About N-cyclopropyl-2-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-cyclopropyl-2-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 9463148) has the molecular formula C13H13FN4OS and a molecular weight of 292.34 g/mol. Its IUPAC name is N-cyclopropyl-2-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID9463148
Molecular FormulaC13H13FN4OS
Molecular Weight292.34 g/mol
Exact Mass292.08
IUPAC NameN-cyclopropyl-2-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESO=C(CSc1nncn1-c1ccccc1F)NC1CC1
InChIInChI=1S/C13H13FN4OS/c14-10-3-1-2-4-11(10)18-8-15-17-13(18)20-7-12(19)16-9-5-6-9/h1-4,8-9H,5-7H2,(H,16,19)
InChIKeySEPWSFRVRAQJEX-UHFFFAOYSA-N
XLogP1.78
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-2-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 9463148) is N-cyclopropyl-2-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is O=C(CSc1nncn1-c1ccccc1F)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is SEPWSFRVRAQJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4OS/c14-10-3-1-2-4-11(10)18-8-15-17-13(18)20-7-12(19)16-9-5-6-9/h1-4,8-9H,5-7H2,(H,16,19).
What are the key properties of N-cyclopropyl-2-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-cyclopropyl-2-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 292.34 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 9463148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).