3-(2-methoxy-2-methylpropyl)-4-methyl-1,3-thiazol-2-one

C9H15NO2S — CID 131086248

IUPAC3-(2-methoxy-2-methylpropyl)-4-methyl-1,3-thiazol-2-one
SMILESCOC(C)(C)Cn1c(C)csc1=O
InChIInChI=1S/C9H15NO2S/c1-7-5-13-8(11)10(7)6-9(2,3)12-4/h5H,6H2,1-4H3
InChIKeyYJAOPDFSWURUOT-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.64
Rot. Bonds3

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

3-(2-methoxy-2-methylpropyl)-4-methyl-1,3-thiazol-2-one (PubChem CID 131086248) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 3-(2-methoxy-2-methylpropyl)-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(2-methoxy-2-methylpropyl)-4-methyl-1,3-thiazol-2-one
PubChem CID131086248
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name3-(2-methoxy-2-methylpropyl)-4-methyl-1,3-thiazol-2-one
SMILESCOC(C)(C)Cn1c(C)csc1=O
InChIInChI=1S/C9H15NO2S/c1-7-5-13-8(11)10(7)6-9(2,3)12-4/h5H,6H2,1-4H3
InChIKeyYJAOPDFSWURUOT-UHFFFAOYSA-N
XLogP1.64
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-3-(oxiran-2-ylmethyl)-1,3-thiazol-2-one
CID 43286829
4-Methyl-3-[2-(2-sulfanylethoxy)ethyl]-1,3-thiazol-2-one
CID 80021888

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-2-methylpropyl)-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-(2-methoxy-2-methylpropyl)-4-methyl-1,3-thiazol-2-one (CID 131086248) is 3-(2-methoxy-2-methylpropyl)-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-(2-methoxy-2-methylpropyl)-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-(2-methoxy-2-methylpropyl)-4-methyl-1,3-thiazol-2-one is COC(C)(C)Cn1c(C)csc1=O.
What is the InChIKey of 3-(2-methoxy-2-methylpropyl)-4-methyl-1,3-thiazol-2-one?
The InChIKey is YJAOPDFSWURUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-7-5-13-8(11)10(7)6-9(2,3)12-4/h5H,6H2,1-4H3.
What are the key properties of 3-(2-methoxy-2-methylpropyl)-4-methyl-1,3-thiazol-2-one?
3-(2-methoxy-2-methylpropyl)-4-methyl-1,3-thiazol-2-one has a molecular weight of 201.29 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-2-methylpropyl)-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 131086248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).