2-(4-fluorophenyl)sulfanyl-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone

C15H17FN4OS — CID 121151174

IUPAC2-(4-fluorophenyl)sulfanyl-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone
SMILESO=C(CSc1ccc(F)cc1)N1CCC(n2ccnn2)CC1
InChIInChI=1S/C15H17FN4OS/c16-12-1-3-14(4-2-12)22-11-15(21)19-8-5-13(6-9-19)20-10-7-17-18-20/h1-4,7,10,13H,5-6,8-9,11H2
InChIKeyCWDMIPROBSPWKK-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.37
Rot. Bonds4

About 2-(4-fluorophenyl)sulfanyl-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone

2-(4-fluorophenyl)sulfanyl-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone (PubChem CID 121151174) has the molecular formula C15H17FN4OS and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone
PubChem CID121151174
Molecular FormulaC15H17FN4OS
Molecular Weight320.39 g/mol
Exact Mass320.11
IUPAC Name2-(4-fluorophenyl)sulfanyl-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone
SMILESO=C(CSc1ccc(F)cc1)N1CCC(n2ccnn2)CC1
InChIInChI=1S/C15H17FN4OS/c16-12-1-3-14(4-2-12)22-11-15(21)19-8-5-13(6-9-19)20-10-7-17-18-20/h1-4,7,10,13H,5-6,8-9,11H2
InChIKeyCWDMIPROBSPWKK-UHFFFAOYSA-N
XLogP2.37
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-fluorophenyl)sulfanyl-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone 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-(4-fluorophenyl)sulfanyl-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone (CID 121151174) is 2-(4-fluorophenyl)sulfanyl-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone is O=C(CSc1ccc(F)cc1)N1CCC(n2ccnn2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone?
The InChIKey is CWDMIPROBSPWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4OS/c16-12-1-3-14(4-2-12)22-11-15(21)19-8-5-13(6-9-19)20-10-7-17-18-20/h1-4,7,10,13H,5-6,8-9,11H2.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone?
2-(4-fluorophenyl)sulfanyl-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone has a molecular weight of 320.39 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 121151174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).