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

C7H11NO3S — CID 66222787

IUPAC3-(2,2-dimethoxyethyl)-1,3-thiazol-2-one
SMILESCOC(Cn1ccsc1=O)OC
InChIInChI=1S/C7H11NO3S/c1-10-6(11-2)5-8-3-4-12-7(8)9/h3-4,6H,5H2,1-2H3
InChIKeyOWRWWBUIKGBWGQ-UHFFFAOYSA-N
MW189.24 g/mol
LogP0.53
Rot. Bonds4

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

3-(2,2-dimethoxyethyl)-1,3-thiazol-2-one (PubChem CID 66222787) has the molecular formula C7H11NO3S and a molecular weight of 189.24 g/mol. Its IUPAC name is 3-(2,2-dimethoxyethyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(2,2-dimethoxyethyl)-1,3-thiazol-2-one
PubChem CID66222787
Molecular FormulaC7H11NO3S
Molecular Weight189.24 g/mol
Exact Mass189.05
IUPAC Name3-(2,2-dimethoxyethyl)-1,3-thiazol-2-one
SMILESCOC(Cn1ccsc1=O)OC
InChIInChI=1S/C7H11NO3S/c1-10-6(11-2)5-8-3-4-12-7(8)9/h3-4,6H,5H2,1-2H3
InChIKeyOWRWWBUIKGBWGQ-UHFFFAOYSA-N
XLogP0.53
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethoxyethyl)-1,3-thiazol-2-one?
The IUPAC name of 3-(2,2-dimethoxyethyl)-1,3-thiazol-2-one (CID 66222787) is 3-(2,2-dimethoxyethyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(2,2-dimethoxyethyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-(2,2-dimethoxyethyl)-1,3-thiazol-2-one is COC(Cn1ccsc1=O)OC.
What is the InChIKey of 3-(2,2-dimethoxyethyl)-1,3-thiazol-2-one?
The InChIKey is OWRWWBUIKGBWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3S/c1-10-6(11-2)5-8-3-4-12-7(8)9/h3-4,6H,5H2,1-2H3.
What are the key properties of 3-(2,2-dimethoxyethyl)-1,3-thiazol-2-one?
3-(2,2-dimethoxyethyl)-1,3-thiazol-2-one has a molecular weight of 189.24 g/mol, XLogP of 0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethoxyethyl)-1,3-thiazol-2-one is sourced from PubChem (CID 66222787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).