3-(3-hydroxypropyl)-4-methyl-1,3-thiazol-2-one

C7H11NO2S — CID 43509712

IUPAC3-(3-hydroxypropyl)-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCCO
InChIInChI=1S/C7H11NO2S/c1-6-5-11-7(10)8(6)3-2-4-9/h5,9H,2-4H2,1H3
InChIKeyRERCYZGXLGYYSL-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.60
Rot. Bonds3

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

3-(3-hydroxypropyl)-4-methyl-1,3-thiazol-2-one (PubChem CID 43509712) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(3-hydroxypropyl)-4-methyl-1,3-thiazol-2-one
PubChem CID43509712
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name3-(3-hydroxypropyl)-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCCO
InChIInChI=1S/C7H11NO2S/c1-6-5-11-7(10)8(6)3-2-4-9/h5,9H,2-4H2,1H3
InChIKeyRERCYZGXLGYYSL-UHFFFAOYSA-N
XLogP0.60
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 ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-Fluoro-2-hydroxypropyl)-4-methyl-2,3-dihydro-1,3-thiazol-2-one
CID 165595264
3-(1-Hydroxyethyl)-4-methyl-1,3-thiazol-2-one
CID 17980717
3-(2-Hydroxyethyl)-4-methyl-1,3-thiazol-2-one
CID 43509711
4-Hydroxy-3-(3-hydroxypropyl)-1,3-thiazol-2-one
CID 90890943
3-(4-Hydroxybutyl)-4-methyl-1,3-thiazol-2-one
CID 43509713
3-(2-Hydroxypropyl)-4-methyl-1,3-thiazol-2-one
CID 60884269
3-(2,3-Dihydroxypropyl)-4-methyl-1,3-thiazol-2-one
CID 79838813
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

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyl)-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-(3-hydroxypropyl)-4-methyl-1,3-thiazol-2-one (CID 43509712) is 3-(3-hydroxypropyl)-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-(3-hydroxypropyl)-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-(3-hydroxypropyl)-4-methyl-1,3-thiazol-2-one is Cc1csc(=O)n1CCCO.
What is the InChIKey of 3-(3-hydroxypropyl)-4-methyl-1,3-thiazol-2-one?
The InChIKey is RERCYZGXLGYYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c1-6-5-11-7(10)8(6)3-2-4-9/h5,9H,2-4H2,1H3.
What are the key properties of 3-(3-hydroxypropyl)-4-methyl-1,3-thiazol-2-one?
3-(3-hydroxypropyl)-4-methyl-1,3-thiazol-2-one has a molecular weight of 173.24 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyl)-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 43509712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).