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

C11H11NOS — CID 11084984

IUPAC4-(2,5-dimethylphenyl)-3H-1,3-thiazol-2-one
SMILESCc1ccc(C)c(-c2csc(=O)[nH]2)c1
InChIInChI=1S/C11H11NOS/c1-7-3-4-8(2)9(5-7)10-6-14-11(13)12-10/h3-6H,1-2H3,(H,12,13)
InChIKeyARMDSIBWLJXGNF-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.72
Rot. Bonds1

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

4-(2,5-dimethylphenyl)-3H-1,3-thiazol-2-one (PubChem CID 11084984) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-3H-1,3-thiazol-2-one
PubChem CID11084984
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name4-(2,5-dimethylphenyl)-3H-1,3-thiazol-2-one
SMILESCc1ccc(C)c(-c2csc(=O)[nH]2)c1
InChIInChI=1S/C11H11NOS/c1-7-3-4-8(2)9(5-7)10-6-14-11(13)12-10/h3-6H,1-2H3,(H,12,13)
InChIKeyARMDSIBWLJXGNF-UHFFFAOYSA-N
XLogP2.72
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2,5-dimethylphenyl)-4-sulfanylidene-1H-pyrimidin-2-one
CID 121206466
4-(2,5-dimethoxyphenyl)-3H-1,3-thiazol-2-one
CID 43286773
4-(5-methylthiophen-2-yl)-3H-1,3-thiazol-2-one
CID 43286802
2-(2,5-dimethylphenyl)-5,7-dimethyl-1H-indole
CID 131886954
4-phenyl-3H-1,3-thiazol-2-one
CID 698903
2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazole
CID 116891864
2-(1-chloroethyl)-5-(2,5-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 43084627
2-(2,5-dimethylphenyl)-5-methyl-1H-imidazole
CID 151776982
6-(2,5-dimethylphenyl)-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-1H-pyridin-2-one
CID 82519961
5-(2,5-dimethylphenyl)-2-ethyl-1H-imidazole
CID 163518861
[2-(2,5-dimethylphenyl)-1,3-thiazol-4-yl] acetate
CID 174677755
3-[(cyclopropylamino)methyl]-6-(2,5-dimethylphenyl)-1H-pyridin-2-one
CID 82519976

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(2,5-dimethylphenyl)-3H-1,3-thiazol-2-one (CID 11084984) is 4-(2,5-dimethylphenyl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(2,5-dimethylphenyl)-3H-1,3-thiazol-2-one is Cc1ccc(C)c(-c2csc(=O)[nH]2)c1.
What is the InChIKey of 4-(2,5-dimethylphenyl)-3H-1,3-thiazol-2-one?
The InChIKey is ARMDSIBWLJXGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-7-3-4-8(2)9(5-7)10-6-14-11(13)12-10/h3-6H,1-2H3,(H,12,13).
What are the key properties of 4-(2,5-dimethylphenyl)-3H-1,3-thiazol-2-one?
4-(2,5-dimethylphenyl)-3H-1,3-thiazol-2-one has a molecular weight of 205.28 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 11084984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).