3-[[1-[(3-fluorophenyl)methyl]triazol-4-yl]methyl]thiolan-3-ol

C14H16FN3OS — CID 166241841

IUPAC3-[[1-[(3-fluorophenyl)methyl]triazol-4-yl]methyl]thiolan-3-ol
SMILESOC1(Cc2cn(Cc3cccc(F)c3)nn2)CCSC1
InChIInChI=1S/C14H16FN3OS/c15-12-3-1-2-11(6-12)8-18-9-13(16-17-18)7-14(19)4-5-20-10-14/h1-3,6,9,19H,4-5,7-8,10H2
InChIKeyLEFYMWFPQKIFAQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.88
Rot. Bonds4

About 3-[[1-[(3-fluorophenyl)methyl]triazol-4-yl]methyl]thiolan-3-ol

3-[[1-[(3-fluorophenyl)methyl]triazol-4-yl]methyl]thiolan-3-ol (PubChem CID 166241841) has the molecular formula C14H16FN3OS and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[[1-[(3-fluorophenyl)methyl]triazol-4-yl]methyl]thiolan-3-ol.

Molecular Properties

Compound Name3-[[1-[(3-fluorophenyl)methyl]triazol-4-yl]methyl]thiolan-3-ol
PubChem CID166241841
Molecular FormulaC14H16FN3OS
Molecular Weight293.37 g/mol
Exact Mass293.10
IUPAC Name3-[[1-[(3-fluorophenyl)methyl]triazol-4-yl]methyl]thiolan-3-ol
SMILESOC1(Cc2cn(Cc3cccc(F)c3)nn2)CCSC1
InChIInChI=1S/C14H16FN3OS/c15-12-3-1-2-11(6-12)8-18-9-13(16-17-18)7-14(19)4-5-20-10-14/h1-3,6,9,19H,4-5,7-8,10H2
InChIKeyLEFYMWFPQKIFAQ-UHFFFAOYSA-N
XLogP1.88
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[1-[(3-fluorophenyl)methyl]triazol-4-yl]methyl]thiolan-3-ol 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 3-[[1-[(3-fluorophenyl)methyl]triazol-4-yl]methyl]thiolan-3-ol?
The IUPAC name of 3-[[1-[(3-fluorophenyl)methyl]triazol-4-yl]methyl]thiolan-3-ol (CID 166241841) is 3-[[1-[(3-fluorophenyl)methyl]triazol-4-yl]methyl]thiolan-3-ol.
What is the SMILES notation for 3-[[1-[(3-fluorophenyl)methyl]triazol-4-yl]methyl]thiolan-3-ol?
The canonical SMILES for 3-[[1-[(3-fluorophenyl)methyl]triazol-4-yl]methyl]thiolan-3-ol is OC1(Cc2cn(Cc3cccc(F)c3)nn2)CCSC1.
What is the InChIKey of 3-[[1-[(3-fluorophenyl)methyl]triazol-4-yl]methyl]thiolan-3-ol?
The InChIKey is LEFYMWFPQKIFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3OS/c15-12-3-1-2-11(6-12)8-18-9-13(16-17-18)7-14(19)4-5-20-10-14/h1-3,6,9,19H,4-5,7-8,10H2.
What are the key properties of 3-[[1-[(3-fluorophenyl)methyl]triazol-4-yl]methyl]thiolan-3-ol?
3-[[1-[(3-fluorophenyl)methyl]triazol-4-yl]methyl]thiolan-3-ol has a molecular weight of 293.37 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(3-fluorophenyl)methyl]triazol-4-yl]methyl]thiolan-3-ol is sourced from PubChem (CID 166241841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).