2-(2-fluorophenyl)sulfanyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide

C17H21FN4O2S — CID 55968212

IUPAC2-(2-fluorophenyl)sulfanyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide
SMILESO=C(CSc1ccccc1F)NCCCn1nc2n(c1=O)CCCC2
InChIInChI=1S/C17H21FN4O2S/c18-13-6-1-2-7-14(13)25-12-16(23)19-9-5-11-22-17(24)21-10-4-3-8-15(21)20-22/h1-2,6-7H,3-5,8-12H2,(H,19,23)
InChIKeyIJOBINFVSWJZFF-UHFFFAOYSA-N
MW364.45 g/mol
LogP1.82
Rot. Bonds7

About 2-(2-fluorophenyl)sulfanyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide

2-(2-fluorophenyl)sulfanyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide (PubChem CID 55968212) has the molecular formula C17H21FN4O2S and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide
PubChem CID55968212
Molecular FormulaC17H21FN4O2S
Molecular Weight364.45 g/mol
Exact Mass364.14
IUPAC Name2-(2-fluorophenyl)sulfanyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide
SMILESO=C(CSc1ccccc1F)NCCCn1nc2n(c1=O)CCCC2
InChIInChI=1S/C17H21FN4O2S/c18-13-6-1-2-7-14(13)25-12-16(23)19-9-5-11-22-17(24)21-10-4-3-8-15(21)20-22/h1-2,6-7H,3-5,8-12H2,(H,19,23)
InChIKeyIJOBINFVSWJZFF-UHFFFAOYSA-N
XLogP1.82
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-fluorophenyl)sulfanyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]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 2-(2-fluorophenyl)sulfanyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide (CID 55968212) is 2-(2-fluorophenyl)sulfanyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide is O=C(CSc1ccccc1F)NCCCn1nc2n(c1=O)CCCC2.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide?
The InChIKey is IJOBINFVSWJZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2S/c18-13-6-1-2-7-14(13)25-12-16(23)19-9-5-11-22-17(24)21-10-4-3-8-15(21)20-22/h1-2,6-7H,3-5,8-12H2,(H,19,23).
What are the key properties of 2-(2-fluorophenyl)sulfanyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide?
2-(2-fluorophenyl)sulfanyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide has a molecular weight of 364.45 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide is sourced from PubChem (CID 55968212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).