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

C11H11NOS — CID 82077516

IUPAC2-(2,4-dimethylphenyl)-1,2-thiazol-3-one
SMILESCc1ccc(-n2sccc2=O)c(C)c1
InChIInChI=1S/C11H11NOS/c1-8-3-4-10(9(2)7-8)12-11(13)5-6-14-12/h3-7H,1-2H3
InChIKeyAINVLQXKTKVVLS-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.52
Rot. Bonds1

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

2-(2,4-dimethylphenyl)-1,2-thiazol-3-one (PubChem CID 82077516) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-1,2-thiazol-3-one.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-1,2-thiazol-3-one
PubChem CID82077516
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name2-(2,4-dimethylphenyl)-1,2-thiazol-3-one
SMILESCc1ccc(-n2sccc2=O)c(C)c1
InChIInChI=1S/C11H11NOS/c1-8-3-4-10(9(2)7-8)12-11(13)5-6-14-12/h3-7H,1-2H3
InChIKeyAINVLQXKTKVVLS-UHFFFAOYSA-N
XLogP2.52
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dimethylphenyl)-5-[3-(2,4-dimethylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4762948
3,4-dichloro-1-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 709008
1,3-bis(2,4-dimethylphenyl)-1,3-diazinane-2,4,6-trione
CID 5121465
1-(2,4-dimethylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one
CID 4988577
2-(2,4-dimethylphenyl)-5-fluoro-1,2-benzothiazol-3-one
CID 52950326
1-(2,4-dimethylphenyl)pyrrolidin-3-one
CID 23052705
2-(2,4-dimethylphenyl)-5-hydroxy-6-(sulfanylmethyl)pyridazin-3-one
CID 82419188
2-(2,4-dimethylphenyl)-5-methyl-4H-pyrazol-3-one
CID 1227222
1-(2,4-dimethylphenyl)-3-sulfanylidenepyrrolidine-2,5-dione
CID 45118559
3-chloro-1-(2,4-dimethylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110583116
3-(2,4-dimethylphenyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one
CID 43396194
1-[4-acetyl-1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 2243422

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-1,2-thiazol-3-one?
The IUPAC name of 2-(2,4-dimethylphenyl)-1,2-thiazol-3-one (CID 82077516) is 2-(2,4-dimethylphenyl)-1,2-thiazol-3-one.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-1,2-thiazol-3-one?
The canonical SMILES for 2-(2,4-dimethylphenyl)-1,2-thiazol-3-one is Cc1ccc(-n2sccc2=O)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-1,2-thiazol-3-one?
The InChIKey is AINVLQXKTKVVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-8-3-4-10(9(2)7-8)12-11(13)5-6-14-12/h3-7H,1-2H3.
What are the key properties of 2-(2,4-dimethylphenyl)-1,2-thiazol-3-one?
2-(2,4-dimethylphenyl)-1,2-thiazol-3-one has a molecular weight of 205.28 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-1,2-thiazol-3-one is sourced from PubChem (CID 82077516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).