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

C7H11NO2S — CID 115871069

IUPAC3-(3-hydroxy-2-methylpropyl)-1,3-thiazol-2-one
SMILESCC(CO)Cn1ccsc1=O
InChIInChI=1S/C7H11NO2S/c1-6(5-9)4-8-2-3-11-7(8)10/h2-3,6,9H,4-5H2,1H3
InChIKeyZHRQZKYTZNUGIM-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.54
Rot. Bonds3

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

3-(3-hydroxy-2-methylpropyl)-1,3-thiazol-2-one (PubChem CID 115871069) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is 3-(3-hydroxy-2-methylpropyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(3-hydroxy-2-methylpropyl)-1,3-thiazol-2-one
PubChem CID115871069
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name3-(3-hydroxy-2-methylpropyl)-1,3-thiazol-2-one
SMILESCC(CO)Cn1ccsc1=O
InChIInChI=1S/C7H11NO2S/c1-6(5-9)4-8-2-3-11-7(8)10/h2-3,6,9H,4-5H2,1H3
InChIKeyZHRQZKYTZNUGIM-UHFFFAOYSA-N
XLogP0.54
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-Hydroxyethyl)-1,3-thiazol-2-one
CID 17980711
4-Hydroxy-3-(3-methoxypropyl)-1,3-thiazol-2-one
CID 54426525
4-Hydroxy-3-(3-hydroxypropyl)-1,3-thiazol-2-one
CID 90890943
3-(4-Hydroxybutyl)-1,3-thiazol-2-one
CID 63312362
3-(3-Hydroxypropyl)-1,3-thiazol-2-one
CID 63312364
3-(3-Hydroxybutyl)-1,3-thiazol-2-one
CID 104318525
3-(3-Methoxypropyl)-1,3-thiazol-2-one
CID 115736833
3-(3-Hydroxy-2-methylpropyl)-4-methyl-1,3-thiazol-2-one
CID 115871038

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-2-methylpropyl)-1,3-thiazol-2-one?
The IUPAC name of 3-(3-hydroxy-2-methylpropyl)-1,3-thiazol-2-one (CID 115871069) is 3-(3-hydroxy-2-methylpropyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(3-hydroxy-2-methylpropyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-(3-hydroxy-2-methylpropyl)-1,3-thiazol-2-one is CC(CO)Cn1ccsc1=O.
What is the InChIKey of 3-(3-hydroxy-2-methylpropyl)-1,3-thiazol-2-one?
The InChIKey is ZHRQZKYTZNUGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c1-6(5-9)4-8-2-3-11-7(8)10/h2-3,6,9H,4-5H2,1H3.
What are the key properties of 3-(3-hydroxy-2-methylpropyl)-1,3-thiazol-2-one?
3-(3-hydroxy-2-methylpropyl)-1,3-thiazol-2-one has a molecular weight of 173.24 g/mol, XLogP of 0.54, 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)-1,3-thiazol-2-one is sourced from PubChem (CID 115871069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).