2-(4-methylphenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone

C19H17NOS2 — CID 1477665

IUPAC2-(4-methylphenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone
SMILESCc1ccc(SCC(=O)c2sc(-c3ccccc3)nc2C)cc1
InChIInChI=1S/C19H17NOS2/c1-13-8-10-16(11-9-13)22-12-17(21)18-14(2)20-19(23-18)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3
InChIKeySDDVSWRPHZXCMK-UHFFFAOYSA-N
MW339.49 g/mol
LogP5.40
Rot. Bonds5

About 2-(4-methylphenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone

2-(4-methylphenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone (PubChem CID 1477665) has the molecular formula C19H17NOS2 and a molecular weight of 339.49 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone
PubChem CID1477665
Molecular FormulaC19H17NOS2
Molecular Weight339.49 g/mol
Exact Mass339.08
IUPAC Name2-(4-methylphenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone
SMILESCc1ccc(SCC(=O)c2sc(-c3ccccc3)nc2C)cc1
InChIInChI=1S/C19H17NOS2/c1-13-8-10-16(11-9-13)22-12-17(21)18-14(2)20-19(23-18)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3
InChIKeySDDVSWRPHZXCMK-UHFFFAOYSA-N
XLogP5.40
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.49
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-methylphenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-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-methylphenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone (CID 1477665) is 2-(4-methylphenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone is Cc1ccc(SCC(=O)c2sc(-c3ccccc3)nc2C)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone?
The InChIKey is SDDVSWRPHZXCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NOS2/c1-13-8-10-16(11-9-13)22-12-17(21)18-14(2)20-19(23-18)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone?
2-(4-methylphenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone has a molecular weight of 339.49 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 1477665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).