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

C6H9NO2S — CID 63312408

IUPAC3-(2-hydroxypropyl)-1,3-thiazol-2-one
SMILESCC(O)Cn1ccsc1=O
InChIInChI=1S/C6H9NO2S/c1-5(8)4-7-2-3-10-6(7)9/h2-3,5,8H,4H2,1H3
InChIKeyBOLJFFWUTCGGSD-UHFFFAOYSA-N
MW159.21 g/mol
LogP0.29
Rot. Bonds2

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

3-(2-hydroxypropyl)-1,3-thiazol-2-one (PubChem CID 63312408) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is 3-(2-hydroxypropyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(2-hydroxypropyl)-1,3-thiazol-2-one
PubChem CID63312408
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC Name3-(2-hydroxypropyl)-1,3-thiazol-2-one
SMILESCC(O)Cn1ccsc1=O
InChIInChI=1S/C6H9NO2S/c1-5(8)4-7-2-3-10-6(7)9/h2-3,5,8H,4H2,1H3
InChIKeyBOLJFFWUTCGGSD-UHFFFAOYSA-N
XLogP0.29
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropyl)-1,3-thiazol-2-one?
The IUPAC name of 3-(2-hydroxypropyl)-1,3-thiazol-2-one (CID 63312408) is 3-(2-hydroxypropyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(2-hydroxypropyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-(2-hydroxypropyl)-1,3-thiazol-2-one is CC(O)Cn1ccsc1=O.
What is the InChIKey of 3-(2-hydroxypropyl)-1,3-thiazol-2-one?
The InChIKey is BOLJFFWUTCGGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S/c1-5(8)4-7-2-3-10-6(7)9/h2-3,5,8H,4H2,1H3.
What are the key properties of 3-(2-hydroxypropyl)-1,3-thiazol-2-one?
3-(2-hydroxypropyl)-1,3-thiazol-2-one has a molecular weight of 159.21 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropyl)-1,3-thiazol-2-one is sourced from PubChem (CID 63312408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).