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

C11H19NO3S — CID 63630267

IUPAC3-(2,2-diethoxyethyl)-4,5-dimethyl-1,3-thiazol-2-one
SMILESCCOC(Cn1c(C)c(C)sc1=O)OCC
InChIInChI=1S/C11H19NO3S/c1-5-14-10(15-6-2)7-12-8(3)9(4)16-11(12)13/h10H,5-7H2,1-4H3
InChIKeyXYFWFKHDLMFSOJ-UHFFFAOYSA-N
MW245.34 g/mol
LogP1.93
Rot. Bonds6

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

3-(2,2-diethoxyethyl)-4,5-dimethyl-1,3-thiazol-2-one (PubChem CID 63630267) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is 3-(2,2-diethoxyethyl)-4,5-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(2,2-diethoxyethyl)-4,5-dimethyl-1,3-thiazol-2-one
PubChem CID63630267
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC Name3-(2,2-diethoxyethyl)-4,5-dimethyl-1,3-thiazol-2-one
SMILESCCOC(Cn1c(C)c(C)sc1=O)OCC
InChIInChI=1S/C11H19NO3S/c1-5-14-10(15-6-2)7-12-8(3)9(4)16-11(12)13/h10H,5-7H2,1-4H3
InChIKeyXYFWFKHDLMFSOJ-UHFFFAOYSA-N
XLogP1.93
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 51.93
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)-4,5-dimethyl-1,3-thiazol-2-one?
The IUPAC name of 3-(2,2-diethoxyethyl)-4,5-dimethyl-1,3-thiazol-2-one (CID 63630267) is 3-(2,2-diethoxyethyl)-4,5-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-(2,2-diethoxyethyl)-4,5-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for 3-(2,2-diethoxyethyl)-4,5-dimethyl-1,3-thiazol-2-one is CCOC(Cn1c(C)c(C)sc1=O)OCC.
What is the InChIKey of 3-(2,2-diethoxyethyl)-4,5-dimethyl-1,3-thiazol-2-one?
The InChIKey is XYFWFKHDLMFSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S/c1-5-14-10(15-6-2)7-12-8(3)9(4)16-11(12)13/h10H,5-7H2,1-4H3.
What are the key properties of 3-(2,2-diethoxyethyl)-4,5-dimethyl-1,3-thiazol-2-one?
3-(2,2-diethoxyethyl)-4,5-dimethyl-1,3-thiazol-2-one has a molecular weight of 245.34 g/mol, XLogP of 1.93, 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)-4,5-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 63630267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).