3-(2-hydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one

C8H13NO2S — CID 63310458

IUPAC3-(2-hydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CC(C)O)c1C
InChIInChI=1S/C8H13NO2S/c1-5(10)4-9-6(2)7(3)12-8(9)11/h5,10H,4H2,1-3H3
InChIKeyRLYZLUWXDYTUOC-UHFFFAOYSA-N
MW187.26 g/mol
LogP0.91
Rot. Bonds2

About 3-(2-hydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one

3-(2-hydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one (PubChem CID 63310458) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is 3-(2-hydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(2-hydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one
PubChem CID63310458
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name3-(2-hydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CC(C)O)c1C
InChIInChI=1S/C8H13NO2S/c1-5(10)4-9-6(2)7(3)12-8(9)11/h5,10H,4H2,1-3H3
InChIKeyRLYZLUWXDYTUOC-UHFFFAOYSA-N
XLogP0.91
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one?
The IUPAC name of 3-(2-hydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one (CID 63310458) is 3-(2-hydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-(2-hydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for 3-(2-hydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one is Cc1sc(=O)n(CC(C)O)c1C.
What is the InChIKey of 3-(2-hydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one?
The InChIKey is RLYZLUWXDYTUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-5(10)4-9-6(2)7(3)12-8(9)11/h5,10H,4H2,1-3H3.
What are the key properties of 3-(2-hydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one?
3-(2-hydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one has a molecular weight of 187.26 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 63310458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).