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

C11H17NO2S — CID 103024667

IUPAC4-methoxy-4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-1-one
SMILESCOC(C)(C)CCC(=O)c1csc(C)n1
InChIInChI=1S/C11H17NO2S/c1-8-12-9(7-15-8)10(13)5-6-11(2,3)14-4/h7H,5-6H2,1-4H3
InChIKeyWZFVBFYGIDYNDX-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.84
Rot. Bonds5

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

4-methoxy-4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-1-one (PubChem CID 103024667) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-1-one.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-1-one
PubChem CID103024667
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name4-methoxy-4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-1-one
SMILESCOC(C)(C)CCC(=O)c1csc(C)n1
InChIInChI=1S/C11H17NO2S/c1-8-12-9(7-15-8)10(13)5-6-11(2,3)14-4/h7H,5-6H2,1-4H3
InChIKeyWZFVBFYGIDYNDX-UHFFFAOYSA-N
XLogP2.84
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-1-one?
The IUPAC name of 4-methoxy-4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-1-one (CID 103024667) is 4-methoxy-4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-1-one.
What is the SMILES notation for 4-methoxy-4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-1-one?
The canonical SMILES for 4-methoxy-4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-1-one is COC(C)(C)CCC(=O)c1csc(C)n1.
What is the InChIKey of 4-methoxy-4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-1-one?
The InChIKey is WZFVBFYGIDYNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-8-12-9(7-15-8)10(13)5-6-11(2,3)14-4/h7H,5-6H2,1-4H3.
What are the key properties of 4-methoxy-4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-1-one?
4-methoxy-4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-1-one has a molecular weight of 227.33 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-1-one is sourced from PubChem (CID 103024667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).