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

C7H11NO3S — CID 79838813

IUPAC3-(2,3-dihydroxypropyl)-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CC(O)CO
InChIInChI=1S/C7H11NO3S/c1-5-4-12-7(11)8(5)2-6(10)3-9/h4,6,9-10H,2-3H2,1H3
InChIKeyGCVWCZLTMHAYCD-UHFFFAOYSA-N
MW189.24 g/mol
LogP-0.43
Rot. Bonds3

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

3-(2,3-dihydroxypropyl)-4-methyl-1,3-thiazol-2-one (PubChem CID 79838813) has the molecular formula C7H11NO3S and a molecular weight of 189.24 g/mol. Its IUPAC name is 3-(2,3-dihydroxypropyl)-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(2,3-dihydroxypropyl)-4-methyl-1,3-thiazol-2-one
PubChem CID79838813
Molecular FormulaC7H11NO3S
Molecular Weight189.24 g/mol
Exact Mass189.05
IUPAC Name3-(2,3-dihydroxypropyl)-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CC(O)CO
InChIInChI=1S/C7H11NO3S/c1-5-4-12-7(11)8(5)2-6(10)3-9/h4,6,9-10H,2-3H2,1H3
InChIKeyGCVWCZLTMHAYCD-UHFFFAOYSA-N
XLogP-0.43
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 5-0.43
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-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-(2,3-dihydroxypropyl)-4-methyl-1,3-thiazol-2-one (CID 79838813) is 3-(2,3-dihydroxypropyl)-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-(2,3-dihydroxypropyl)-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-(2,3-dihydroxypropyl)-4-methyl-1,3-thiazol-2-one is Cc1csc(=O)n1CC(O)CO.
What is the InChIKey of 3-(2,3-dihydroxypropyl)-4-methyl-1,3-thiazol-2-one?
The InChIKey is GCVWCZLTMHAYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3S/c1-5-4-12-7(11)8(5)2-6(10)3-9/h4,6,9-10H,2-3H2,1H3.
What are the key properties of 3-(2,3-dihydroxypropyl)-4-methyl-1,3-thiazol-2-one?
3-(2,3-dihydroxypropyl)-4-methyl-1,3-thiazol-2-one has a molecular weight of 189.24 g/mol, XLogP of -0.43, 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-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 79838813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).