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

C10H17NO2S — CID 130501788

IUPAC3-(2-hydroxy-3,3-dimethylbutyl)-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CC(O)C(C)(C)C
InChIInChI=1S/C10H17NO2S/c1-7-6-14-9(13)11(7)5-8(12)10(2,3)4/h6,8,12H,5H2,1-4H3
InChIKeyWQVNYQDMADWIES-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.63
Rot. Bonds2

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

3-(2-hydroxy-3,3-dimethylbutyl)-4-methyl-1,3-thiazol-2-one (PubChem CID 130501788) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 3-(2-hydroxy-3,3-dimethylbutyl)-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(2-hydroxy-3,3-dimethylbutyl)-4-methyl-1,3-thiazol-2-one
PubChem CID130501788
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name3-(2-hydroxy-3,3-dimethylbutyl)-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CC(O)C(C)(C)C
InChIInChI=1S/C10H17NO2S/c1-7-6-14-9(13)11(7)5-8(12)10(2,3)4/h6,8,12H,5H2,1-4H3
InChIKeyWQVNYQDMADWIES-UHFFFAOYSA-N
XLogP1.63
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-hydroxy-3,3-dimethylbutyl)-4-methyl-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

Related Compounds

3-(2-Hydroxypropyl)-4-methyl-1,3-thiazol-2-one
CID 60884269
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-Hydroxy-3,3-dimethylbutyl)-1,3-thiazol-2-one
CID 130501793
3-(3-Hydroxy-2,2-dimethylpropyl)-4-methyl-2,3-dihydro-1,3-thiazol-2-one
CID 164652794

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-3,3-dimethylbutyl)-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-(2-hydroxy-3,3-dimethylbutyl)-4-methyl-1,3-thiazol-2-one (CID 130501788) is 3-(2-hydroxy-3,3-dimethylbutyl)-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-(2-hydroxy-3,3-dimethylbutyl)-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-(2-hydroxy-3,3-dimethylbutyl)-4-methyl-1,3-thiazol-2-one is Cc1csc(=O)n1CC(O)C(C)(C)C.
What is the InChIKey of 3-(2-hydroxy-3,3-dimethylbutyl)-4-methyl-1,3-thiazol-2-one?
The InChIKey is WQVNYQDMADWIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-7-6-14-9(13)11(7)5-8(12)10(2,3)4/h6,8,12H,5H2,1-4H3.
What are the key properties of 3-(2-hydroxy-3,3-dimethylbutyl)-4-methyl-1,3-thiazol-2-one?
3-(2-hydroxy-3,3-dimethylbutyl)-4-methyl-1,3-thiazol-2-one has a molecular weight of 215.32 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-3,3-dimethylbutyl)-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 130501788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).