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

C8H13NO3S — CID 82851091

IUPAC3-(2,3-dihydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CC(O)CO)c1C
InChIInChI=1S/C8H13NO3S/c1-5-6(2)13-8(12)9(5)3-7(11)4-10/h7,10-11H,3-4H2,1-2H3
InChIKeyWLXHMAOWWIRYJK-UHFFFAOYSA-N
MW203.26 g/mol
LogP-0.12
Rot. Bonds3

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

3-(2,3-dihydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one (PubChem CID 82851091) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is 3-(2,3-dihydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(2,3-dihydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one
PubChem CID82851091
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Name3-(2,3-dihydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CC(O)CO)c1C
InChIInChI=1S/C8H13NO3S/c1-5-6(2)13-8(12)9(5)3-7(11)4-10/h7,10-11H,3-4H2,1-2H3
InChIKeyWLXHMAOWWIRYJK-UHFFFAOYSA-N
XLogP-0.12
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one?
The IUPAC name of 3-(2,3-dihydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one (CID 82851091) is 3-(2,3-dihydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-(2,3-dihydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for 3-(2,3-dihydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one is Cc1sc(=O)n(CC(O)CO)c1C.
What is the InChIKey of 3-(2,3-dihydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one?
The InChIKey is WLXHMAOWWIRYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S/c1-5-6(2)13-8(12)9(5)3-7(11)4-10/h7,10-11H,3-4H2,1-2H3.
What are the key properties of 3-(2,3-dihydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one?
3-(2,3-dihydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one has a molecular weight of 203.26 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 82851091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).