3-(2,5-dimethylphenyl)-4,5-dimethyl-1,3-thiazol-2-one

C13H15NOS — CID 86185353

IUPAC3-(2,5-dimethylphenyl)-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1ccc(C)c(-n2c(C)c(C)sc2=O)c1
InChIInChI=1S/C13H15NOS/c1-8-5-6-9(2)12(7-8)14-10(3)11(4)16-13(14)15/h5-7H,1-4H3
InChIKeyGWIKTHCXEXGZDY-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.13
Rot. Bonds1

About 3-(2,5-dimethylphenyl)-4,5-dimethyl-1,3-thiazol-2-one

3-(2,5-dimethylphenyl)-4,5-dimethyl-1,3-thiazol-2-one (PubChem CID 86185353) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 3-(2,5-dimethylphenyl)-4,5-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(2,5-dimethylphenyl)-4,5-dimethyl-1,3-thiazol-2-one
PubChem CID86185353
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name3-(2,5-dimethylphenyl)-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1ccc(C)c(-n2c(C)c(C)sc2=O)c1
InChIInChI=1S/C13H15NOS/c1-8-5-6-9(2)12(7-8)14-10(3)11(4)16-13(14)15/h5-7H,1-4H3
InChIKeyGWIKTHCXEXGZDY-UHFFFAOYSA-N
XLogP3.13
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenyl)-4,5-dimethyl-1,3-thiazol-2-one?
The IUPAC name of 3-(2,5-dimethylphenyl)-4,5-dimethyl-1,3-thiazol-2-one (CID 86185353) is 3-(2,5-dimethylphenyl)-4,5-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-(2,5-dimethylphenyl)-4,5-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for 3-(2,5-dimethylphenyl)-4,5-dimethyl-1,3-thiazol-2-one is Cc1ccc(C)c(-n2c(C)c(C)sc2=O)c1.
What is the InChIKey of 3-(2,5-dimethylphenyl)-4,5-dimethyl-1,3-thiazol-2-one?
The InChIKey is GWIKTHCXEXGZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-8-5-6-9(2)12(7-8)14-10(3)11(4)16-13(14)15/h5-7H,1-4H3.
What are the key properties of 3-(2,5-dimethylphenyl)-4,5-dimethyl-1,3-thiazol-2-one?
3-(2,5-dimethylphenyl)-4,5-dimethyl-1,3-thiazol-2-one has a molecular weight of 233.34 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenyl)-4,5-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 86185353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).