benzene;4,5-dimethyl-3-(2-propan-2-ylphenyl)-1,3-thiazol-2-one

C20H23NOS — CID 174717433

IUPACbenzene;4,5-dimethyl-3-(2-propan-2-ylphenyl)-1,3-thiazol-2-one
SMILESCc1sc(=O)n(-c2ccccc2C(C)C)c1C.c1ccccc1
InChIInChI=1S/C14H17NOS.C6H6/c1-9(2)12-7-5-6-8-13(12)15-10(3)11(4)17-14(15)16;1-2-4-6-5-3-1/h5-9H,1-4H3;1-6H
InChIKeyXPDFXPLEMMNNJS-UHFFFAOYSA-N
MW325.48 g/mol
LogP5.33
Rot. Bonds2

About benzene;4,5-dimethyl-3-(2-propan-2-ylphenyl)-1,3-thiazol-2-one

benzene;4,5-dimethyl-3-(2-propan-2-ylphenyl)-1,3-thiazol-2-one (PubChem CID 174717433) has the molecular formula C20H23NOS and a molecular weight of 325.48 g/mol. Its IUPAC name is benzene;4,5-dimethyl-3-(2-propan-2-ylphenyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Namebenzene;4,5-dimethyl-3-(2-propan-2-ylphenyl)-1,3-thiazol-2-one
PubChem CID174717433
Molecular FormulaC20H23NOS
Molecular Weight325.48 g/mol
Exact Mass325.15
IUPAC Namebenzene;4,5-dimethyl-3-(2-propan-2-ylphenyl)-1,3-thiazol-2-one
SMILESCc1sc(=O)n(-c2ccccc2C(C)C)c1C.c1ccccc1
InChIInChI=1S/C14H17NOS.C6H6/c1-9(2)12-7-5-6-8-13(12)15-10(3)11(4)17-14(15)16;1-2-4-6-5-3-1/h5-9H,1-4H3;1-6H
InChIKeyXPDFXPLEMMNNJS-UHFFFAOYSA-N
XLogP5.33
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.48
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze benzene;4,5-dimethyl-3-(2-propan-2-ylphenyl)-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 benzene;4,5-dimethyl-3-(2-propan-2-ylphenyl)-1,3-thiazol-2-one?
The IUPAC name of benzene;4,5-dimethyl-3-(2-propan-2-ylphenyl)-1,3-thiazol-2-one (CID 174717433) is benzene;4,5-dimethyl-3-(2-propan-2-ylphenyl)-1,3-thiazol-2-one.
What is the SMILES notation for benzene;4,5-dimethyl-3-(2-propan-2-ylphenyl)-1,3-thiazol-2-one?
The canonical SMILES for benzene;4,5-dimethyl-3-(2-propan-2-ylphenyl)-1,3-thiazol-2-one is Cc1sc(=O)n(-c2ccccc2C(C)C)c1C.c1ccccc1.
What is the InChIKey of benzene;4,5-dimethyl-3-(2-propan-2-ylphenyl)-1,3-thiazol-2-one?
The InChIKey is XPDFXPLEMMNNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS.C6H6/c1-9(2)12-7-5-6-8-13(12)15-10(3)11(4)17-14(15)16;1-2-4-6-5-3-1/h5-9H,1-4H3;1-6H.
What are the key properties of benzene;4,5-dimethyl-3-(2-propan-2-ylphenyl)-1,3-thiazol-2-one?
benzene;4,5-dimethyl-3-(2-propan-2-ylphenyl)-1,3-thiazol-2-one has a molecular weight of 325.48 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;4,5-dimethyl-3-(2-propan-2-ylphenyl)-1,3-thiazol-2-one is sourced from PubChem (CID 174717433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).