4-methyl-3-[2-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)phenyl]-1,3-thiazol-2-one

C15H14N2O2S2 — CID 639546

IUPAC4-methyl-3-[2-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)phenyl]-1,3-thiazol-2-one
SMILESCc1c(-n2c(C)csc2=O)cccc1-n1c(C)csc1=O
InChIInChI=1S/C15H14N2O2S2/c1-9-7-20-14(18)16(9)12-5-4-6-13(11(12)3)17-10(2)8-21-15(17)19/h4-8H,1-3H3
InChIKeyKSTSNAXPFHRASC-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.04
Rot. Bonds2

About 4-methyl-3-[2-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)phenyl]-1,3-thiazol-2-one

4-methyl-3-[2-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)phenyl]-1,3-thiazol-2-one (PubChem CID 639546) has the molecular formula C15H14N2O2S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-methyl-3-[2-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)phenyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-methyl-3-[2-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)phenyl]-1,3-thiazol-2-one
PubChem CID639546
Molecular FormulaC15H14N2O2S2
Molecular Weight318.42 g/mol
Exact Mass318.05
IUPAC Name4-methyl-3-[2-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)phenyl]-1,3-thiazol-2-one
SMILESCc1c(-n2c(C)csc2=O)cccc1-n1c(C)csc1=O
InChIInChI=1S/C15H14N2O2S2/c1-9-7-20-14(18)16(9)12-5-4-6-13(11(12)3)17-10(2)8-21-15(17)19/h4-8H,1-3H3
InChIKeyKSTSNAXPFHRASC-UHFFFAOYSA-N
XLogP3.04
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-methyl-3-[2-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)phenyl]-1,3-thiazol-2-one 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-methyl-3-[2-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)phenyl]-1,3-thiazol-2-one?
The IUPAC name of 4-methyl-3-[2-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)phenyl]-1,3-thiazol-2-one (CID 639546) is 4-methyl-3-[2-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)phenyl]-1,3-thiazol-2-one.
What is the SMILES notation for 4-methyl-3-[2-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)phenyl]-1,3-thiazol-2-one?
The canonical SMILES for 4-methyl-3-[2-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)phenyl]-1,3-thiazol-2-one is Cc1c(-n2c(C)csc2=O)cccc1-n1c(C)csc1=O.
What is the InChIKey of 4-methyl-3-[2-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)phenyl]-1,3-thiazol-2-one?
The InChIKey is KSTSNAXPFHRASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S2/c1-9-7-20-14(18)16(9)12-5-4-6-13(11(12)3)17-10(2)8-21-15(17)19/h4-8H,1-3H3.
What are the key properties of 4-methyl-3-[2-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)phenyl]-1,3-thiazol-2-one?
4-methyl-3-[2-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)phenyl]-1,3-thiazol-2-one has a molecular weight of 318.42 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)phenyl]-1,3-thiazol-2-one is sourced from PubChem (CID 639546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).