4-benzylsulfanyl-2-(4-methylphenyl)-1,3-thiazole

C17H15NS2 — CID 51064856

IUPAC4-benzylsulfanyl-2-(4-methylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2nc(SCc3ccccc3)cs2)cc1
InChIInChI=1S/C17H15NS2/c1-13-7-9-15(10-8-13)17-18-16(12-20-17)19-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3
InChIKeyKEOQSQNHIQHJBF-UHFFFAOYSA-N
MW297.45 g/mol
LogP5.41
Rot. Bonds4

About 4-benzylsulfanyl-2-(4-methylphenyl)-1,3-thiazole

4-benzylsulfanyl-2-(4-methylphenyl)-1,3-thiazole (PubChem CID 51064856) has the molecular formula C17H15NS2 and a molecular weight of 297.45 g/mol. Its IUPAC name is 4-benzylsulfanyl-2-(4-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-benzylsulfanyl-2-(4-methylphenyl)-1,3-thiazole
PubChem CID51064856
Molecular FormulaC17H15NS2
Molecular Weight297.45 g/mol
Exact Mass297.06
IUPAC Name4-benzylsulfanyl-2-(4-methylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2nc(SCc3ccccc3)cs2)cc1
InChIInChI=1S/C17H15NS2/c1-13-7-9-15(10-8-13)17-18-16(12-20-17)19-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3
InChIKeyKEOQSQNHIQHJBF-UHFFFAOYSA-N
XLogP5.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.45
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-benzylsulfanyl-2-(4-methylphenyl)-1,3-thiazole 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-benzylsulfanyl-2-(4-methylphenyl)-1,3-thiazole?
The IUPAC name of 4-benzylsulfanyl-2-(4-methylphenyl)-1,3-thiazole (CID 51064856) is 4-benzylsulfanyl-2-(4-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-benzylsulfanyl-2-(4-methylphenyl)-1,3-thiazole?
The canonical SMILES for 4-benzylsulfanyl-2-(4-methylphenyl)-1,3-thiazole is Cc1ccc(-c2nc(SCc3ccccc3)cs2)cc1.
What is the InChIKey of 4-benzylsulfanyl-2-(4-methylphenyl)-1,3-thiazole?
The InChIKey is KEOQSQNHIQHJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NS2/c1-13-7-9-15(10-8-13)17-18-16(12-20-17)19-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3.
What are the key properties of 4-benzylsulfanyl-2-(4-methylphenyl)-1,3-thiazole?
4-benzylsulfanyl-2-(4-methylphenyl)-1,3-thiazole has a molecular weight of 297.45 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylsulfanyl-2-(4-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 51064856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).