3-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-2,4,5,6-tetramethylphenyl]-4,5-dimethyl-1,3-thiazol-2-one

C20H24N2O2S2 — CID 10548334

IUPAC3-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-2,4,5,6-tetramethylphenyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(-c2c(C)c(C)c(C)c(-n3c(C)c(C)sc3=O)c2C)c1C
InChIInChI=1S/C20H24N2O2S2/c1-9-10(2)17(21-13(5)15(7)25-19(21)23)12(4)18(11(9)3)22-14(6)16(8)26-20(22)24/h1-8H3
InChIKeyDOOPMFNQFVGCPW-UHFFFAOYSA-N
MW388.56 g/mol
LogP4.58
Rot. Bonds2

About 3-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-2,4,5,6-tetramethylphenyl]-4,5-dimethyl-1,3-thiazol-2-one

3-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-2,4,5,6-tetramethylphenyl]-4,5-dimethyl-1,3-thiazol-2-one (PubChem CID 10548334) has the molecular formula C20H24N2O2S2 and a molecular weight of 388.56 g/mol. Its IUPAC name is 3-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-2,4,5,6-tetramethylphenyl]-4,5-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-2,4,5,6-tetramethylphenyl]-4,5-dimethyl-1,3-thiazol-2-one
PubChem CID10548334
Molecular FormulaC20H24N2O2S2
Molecular Weight388.56 g/mol
Exact Mass388.13
IUPAC Name3-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-2,4,5,6-tetramethylphenyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(-c2c(C)c(C)c(C)c(-n3c(C)c(C)sc3=O)c2C)c1C
InChIInChI=1S/C20H24N2O2S2/c1-9-10(2)17(21-13(5)15(7)25-19(21)23)12(4)18(11(9)3)22-14(6)16(8)26-20(22)24/h1-8H3
InChIKeyDOOPMFNQFVGCPW-UHFFFAOYSA-N
XLogP4.58
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-2,4,5,6-tetramethylphenyl]-4,5-dimethyl-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 3-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-2,4,5,6-tetramethylphenyl]-4,5-dimethyl-1,3-thiazol-2-one?
The IUPAC name of 3-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-2,4,5,6-tetramethylphenyl]-4,5-dimethyl-1,3-thiazol-2-one (CID 10548334) is 3-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-2,4,5,6-tetramethylphenyl]-4,5-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-2,4,5,6-tetramethylphenyl]-4,5-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-2,4,5,6-tetramethylphenyl]-4,5-dimethyl-1,3-thiazol-2-one is Cc1sc(=O)n(-c2c(C)c(C)c(C)c(-n3c(C)c(C)sc3=O)c2C)c1C.
What is the InChIKey of 3-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-2,4,5,6-tetramethylphenyl]-4,5-dimethyl-1,3-thiazol-2-one?
The InChIKey is DOOPMFNQFVGCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S2/c1-9-10(2)17(21-13(5)15(7)25-19(21)23)12(4)18(11(9)3)22-14(6)16(8)26-20(22)24/h1-8H3.
What are the key properties of 3-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-2,4,5,6-tetramethylphenyl]-4,5-dimethyl-1,3-thiazol-2-one?
3-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-2,4,5,6-tetramethylphenyl]-4,5-dimethyl-1,3-thiazol-2-one has a molecular weight of 388.56 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-2,4,5,6-tetramethylphenyl]-4,5-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 10548334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).