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

C8H13NO3S — CID 66222143

IUPAC3-(2,2-dimethoxyethyl)-4-methyl-1,3-thiazol-2-one
SMILESCOC(Cn1c(C)csc1=O)OC
InChIInChI=1S/C8H13NO3S/c1-6-5-13-8(10)9(6)4-7(11-2)12-3/h5,7H,4H2,1-3H3
InChIKeyCLAZNBRPSJXSBE-UHFFFAOYSA-N
MW203.26 g/mol
LogP0.84
Rot. Bonds4

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

3-(2,2-dimethoxyethyl)-4-methyl-1,3-thiazol-2-one (PubChem CID 66222143) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is 3-(2,2-dimethoxyethyl)-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(2,2-dimethoxyethyl)-4-methyl-1,3-thiazol-2-one
PubChem CID66222143
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Name3-(2,2-dimethoxyethyl)-4-methyl-1,3-thiazol-2-one
SMILESCOC(Cn1c(C)csc1=O)OC
InChIInChI=1S/C8H13NO3S/c1-6-5-13-8(10)9(6)4-7(11-2)12-3/h5,7H,4H2,1-3H3
InChIKeyCLAZNBRPSJXSBE-UHFFFAOYSA-N
XLogP0.84
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 50.84
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)-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-(2,2-dimethoxyethyl)-4-methyl-1,3-thiazol-2-one (CID 66222143) is 3-(2,2-dimethoxyethyl)-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-(2,2-dimethoxyethyl)-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-(2,2-dimethoxyethyl)-4-methyl-1,3-thiazol-2-one is COC(Cn1c(C)csc1=O)OC.
What is the InChIKey of 3-(2,2-dimethoxyethyl)-4-methyl-1,3-thiazol-2-one?
The InChIKey is CLAZNBRPSJXSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S/c1-6-5-13-8(10)9(6)4-7(11-2)12-3/h5,7H,4H2,1-3H3.
What are the key properties of 3-(2,2-dimethoxyethyl)-4-methyl-1,3-thiazol-2-one?
3-(2,2-dimethoxyethyl)-4-methyl-1,3-thiazol-2-one has a molecular weight of 203.26 g/mol, XLogP of 0.84, 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)-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 66222143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).