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

C8H13NO2S — CID 115871038

IUPAC3-(3-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CC(C)CO
InChIInChI=1S/C8H13NO2S/c1-6(4-10)3-9-7(2)5-12-8(9)11/h5-6,10H,3-4H2,1-2H3
InChIKeyHFMMNYVLUWWEOB-UHFFFAOYSA-N
MW187.26 g/mol
LogP0.85
Rot. Bonds3

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

3-(3-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazol-2-one (PubChem CID 115871038) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is 3-(3-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(3-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazol-2-one
PubChem CID115871038
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name3-(3-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CC(C)CO
InChIInChI=1S/C8H13NO2S/c1-6(4-10)3-9-7(2)5-12-8(9)11/h5-6,10H,3-4H2,1-2H3
InChIKeyHFMMNYVLUWWEOB-UHFFFAOYSA-N
XLogP0.85
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 50.85
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)-1,3-thiazol-2-one
CID 115871069
3-(3-Hydroxy-2-methylpropyl)-4,5-dimethyl-1,3-thiazol-2-one
CID 116493409
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-methylpropyl)-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-(3-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazol-2-one (CID 115871038) is 3-(3-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-(3-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-(3-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazol-2-one is Cc1csc(=O)n1CC(C)CO.
What is the InChIKey of 3-(3-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazol-2-one?
The InChIKey is HFMMNYVLUWWEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-6(4-10)3-9-7(2)5-12-8(9)11/h5-6,10H,3-4H2,1-2H3.
What are the key properties of 3-(3-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazol-2-one?
3-(3-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazol-2-one has a molecular weight of 187.26 g/mol, XLogP of 0.85, 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-methylpropyl)-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 115871038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).