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

C7H11NO2S — CID 60884269

IUPAC3-(2-hydroxypropyl)-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CC(C)O
InChIInChI=1S/C7H11NO2S/c1-5-4-11-7(10)8(5)3-6(2)9/h4,6,9H,3H2,1-2H3
InChIKeyGOBHKLNJAUPGEA-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.60
Rot. Bonds2

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

3-(2-hydroxypropyl)-4-methyl-1,3-thiazol-2-one (PubChem CID 60884269) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is 3-(2-hydroxypropyl)-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(2-hydroxypropyl)-4-methyl-1,3-thiazol-2-one
PubChem CID60884269
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name3-(2-hydroxypropyl)-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CC(C)O
InChIInChI=1S/C7H11NO2S/c1-5-4-11-7(10)8(5)3-6(2)9/h4,6,9H,3H2,1-2H3
InChIKeyGOBHKLNJAUPGEA-UHFFFAOYSA-N
XLogP0.60
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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
2-hydroxy-2,5-dimethyl-3H-1,4-thiazine-4-carbaldehyde
CID 131842849
3-(1-Hydroxyethyl)-4-methyl-1,3-thiazol-2-one
CID 17980717
3-(2-Hydroxyethyl)-4-methyl-1,3-thiazol-2-one
CID 43509711
1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol
CID 57261095
1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol;dihydrochloride
CID 173331337
2-(4-methyl-2H-1,3-thiazol-3-yl)ethanol;hydrate
CID 174622114
3-[2-Hydroxy-3-(propylamino)propyl]-4-methyl-1,3-thiazol-2-one
CID 43286825
3-[3-(Ethylamino)-2-hydroxypropyl]-4-methyl-1,3-thiazol-2-one
CID 43286826
3-[2-Hydroxy-3-(methylamino)propyl]-4-methyl-1,3-thiazol-2-one
CID 43286827
3-(3-Amino-2-hydroxypropyl)-4-methyl-1,3-thiazol-2-one
CID 43286828
4-Methyl-3-(oxiran-2-ylmethyl)-1,3-thiazol-2-one
CID 43286829

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropyl)-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-(2-hydroxypropyl)-4-methyl-1,3-thiazol-2-one (CID 60884269) is 3-(2-hydroxypropyl)-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-(2-hydroxypropyl)-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-(2-hydroxypropyl)-4-methyl-1,3-thiazol-2-one is Cc1csc(=O)n1CC(C)O.
What is the InChIKey of 3-(2-hydroxypropyl)-4-methyl-1,3-thiazol-2-one?
The InChIKey is GOBHKLNJAUPGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c1-5-4-11-7(10)8(5)3-6(2)9/h4,6,9H,3H2,1-2H3.
What are the key properties of 3-(2-hydroxypropyl)-4-methyl-1,3-thiazol-2-one?
3-(2-hydroxypropyl)-4-methyl-1,3-thiazol-2-one has a molecular weight of 173.24 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropyl)-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 60884269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).