3-(3-hydroxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-2-one

C9H15NO2S — CID 164652794

IUPAC3-(3-hydroxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CC(C)(C)CO
InChIInChI=1S/C9H15NO2S/c1-7-4-13-8(12)10(7)5-9(2,3)6-11/h4,11H,5-6H2,1-3H3
InChIKeyJTJBFDQXCXSQCM-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.24
Rot. Bonds3

About 3-(3-hydroxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-2-one

3-(3-hydroxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-2-one (PubChem CID 164652794) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 3-(3-hydroxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(3-hydroxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-2-one
PubChem CID164652794
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name3-(3-hydroxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CC(C)(C)CO
InChIInChI=1S/C9H15NO2S/c1-7-4-13-8(12)10(7)5-9(2,3)6-11/h4,11H,5-6H2,1-3H3
InChIKeyJTJBFDQXCXSQCM-UHFFFAOYSA-N
XLogP1.24
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-Hydroxyethyl)-4-methyl-1,3-thiazol-2-one
CID 17980717
3-(2-Hydroxyethyl)-4-methyl-1,3-thiazol-2-one
CID 43509711
3-(3-Hydroxypropyl)-4-methyl-1,3-thiazol-2-one
CID 43509712
3-(4-Hydroxybutyl)-4-methyl-1,3-thiazol-2-one
CID 43509713
3-(3-Hydroxy-3-methylbutyl)-4-methyl-1,3-thiazol-2-one
CID 79361188
3-(3-Hydroxybutan-2-yl)-4-methyl-1,3-thiazol-2-one
CID 80069881
3-(3-Hydroxybutyl)-4-methyl-1,3-thiazol-2-one
CID 104318489
3-[2-[2,2-Dimethylpropyl(3-hydroxypropyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one
CID 111107227
3-[2-[[3-Hydroxy-2-(hydroxymethyl)-2-methylpropyl]-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one
CID 112355829
3-(3-Hydroxy-2-methylpropyl)-4-methyl-1,3-thiazol-2-one
CID 115871038
3-(2-Hydroxy-3,3-dimethylbutyl)-4-methyl-1,3-thiazol-2-one
CID 130501788
3-[[3-(Hydroxymethyl)oxetan-3-yl]methyl]-4-methyl-1,3-thiazol-2-one
CID 130993568

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-(3-hydroxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-2-one (CID 164652794) is 3-(3-hydroxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-(3-hydroxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-(3-hydroxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-2-one is Cc1csc(=O)n1CC(C)(C)CO.
What is the InChIKey of 3-(3-hydroxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-2-one?
The InChIKey is JTJBFDQXCXSQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-7-4-13-8(12)10(7)5-9(2,3)6-11/h4,11H,5-6H2,1-3H3.
What are the key properties of 3-(3-hydroxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-2-one?
3-(3-hydroxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-2-one has a molecular weight of 201.29 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 164652794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).