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

C9H15NO3S — CID 63630266

IUPAC3-(2,2-diethoxyethyl)-1,3-thiazol-2-one
SMILESCCOC(Cn1ccsc1=O)OCC
InChIInChI=1S/C9H15NO3S/c1-3-12-8(13-4-2)7-10-5-6-14-9(10)11/h5-6,8H,3-4,7H2,1-2H3
InChIKeyOOZVMVHKLVQYEW-UHFFFAOYSA-N
MW217.29 g/mol
LogP1.31
Rot. Bonds6

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

3-(2,2-diethoxyethyl)-1,3-thiazol-2-one (PubChem CID 63630266) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is 3-(2,2-diethoxyethyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(2,2-diethoxyethyl)-1,3-thiazol-2-one
PubChem CID63630266
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC Name3-(2,2-diethoxyethyl)-1,3-thiazol-2-one
SMILESCCOC(Cn1ccsc1=O)OCC
InChIInChI=1S/C9H15NO3S/c1-3-12-8(13-4-2)7-10-5-6-14-9(10)11/h5-6,8H,3-4,7H2,1-2H3
InChIKeyOOZVMVHKLVQYEW-UHFFFAOYSA-N
XLogP1.31
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 51.31
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-diethoxyethyl)-1,3-thiazol-2-one?
The IUPAC name of 3-(2,2-diethoxyethyl)-1,3-thiazol-2-one (CID 63630266) is 3-(2,2-diethoxyethyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(2,2-diethoxyethyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-(2,2-diethoxyethyl)-1,3-thiazol-2-one is CCOC(Cn1ccsc1=O)OCC.
What is the InChIKey of 3-(2,2-diethoxyethyl)-1,3-thiazol-2-one?
The InChIKey is OOZVMVHKLVQYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S/c1-3-12-8(13-4-2)7-10-5-6-14-9(10)11/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 3-(2,2-diethoxyethyl)-1,3-thiazol-2-one?
3-(2,2-diethoxyethyl)-1,3-thiazol-2-one has a molecular weight of 217.29 g/mol, XLogP of 1.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-diethoxyethyl)-1,3-thiazol-2-one is sourced from PubChem (CID 63630266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).