4-[2-(2-fluoro-4-methylphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine

C19H20FNS — CID 11381435

IUPAC4-[2-(2-fluoro-4-methylphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine
SMILESCc1ccc(Sc2ccc(C)cc2C2=CCNCC2)c(F)c1
InChIInChI=1S/C19H20FNS/c1-13-3-5-18(16(11-13)15-7-9-21-10-8-15)22-19-6-4-14(2)12-17(19)20/h3-7,11-12,21H,8-10H2,1-2H3
InChIKeyOLMDOHNCJDLHMJ-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.97
Rot. Bonds3

About 4-[2-(2-fluoro-4-methylphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine

4-[2-(2-fluoro-4-methylphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine (PubChem CID 11381435) has the molecular formula C19H20FNS and a molecular weight of 313.44 g/mol. Its IUPAC name is 4-[2-(2-fluoro-4-methylphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[2-(2-fluoro-4-methylphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine
PubChem CID11381435
Molecular FormulaC19H20FNS
Molecular Weight313.44 g/mol
Exact Mass313.13
IUPAC Name4-[2-(2-fluoro-4-methylphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine
SMILESCc1ccc(Sc2ccc(C)cc2C2=CCNCC2)c(F)c1
InChIInChI=1S/C19H20FNS/c1-13-3-5-18(16(11-13)15-7-9-21-10-8-15)22-19-6-4-14(2)12-17(19)20/h3-7,11-12,21H,8-10H2,1-2H3
InChIKeyOLMDOHNCJDLHMJ-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[2-(2-fluoro-4-methylphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine 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 4-[2-(2-fluoro-4-methylphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[2-(2-fluoro-4-methylphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine (CID 11381435) is 4-[2-(2-fluoro-4-methylphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[2-(2-fluoro-4-methylphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[2-(2-fluoro-4-methylphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine is Cc1ccc(Sc2ccc(C)cc2C2=CCNCC2)c(F)c1.
What is the InChIKey of 4-[2-(2-fluoro-4-methylphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is OLMDOHNCJDLHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNS/c1-13-3-5-18(16(11-13)15-7-9-21-10-8-15)22-19-6-4-14(2)12-17(19)20/h3-7,11-12,21H,8-10H2,1-2H3.
What are the key properties of 4-[2-(2-fluoro-4-methylphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine?
4-[2-(2-fluoro-4-methylphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine has a molecular weight of 313.44 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluoro-4-methylphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 11381435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).