1-[2-(3-methoxypentan-3-yl)-1,3-thiazol-5-yl]ethanone

C11H17NO2S — CID 116774169

IUPAC1-[2-(3-methoxypentan-3-yl)-1,3-thiazol-5-yl]ethanone
SMILESCCC(CC)(OC)c1ncc(C(C)=O)s1
InChIInChI=1S/C11H17NO2S/c1-5-11(6-2,14-4)10-12-7-9(15-10)8(3)13/h7H,5-6H2,1-4H3
InChIKeyFAGRARHSEYNXIL-UHFFFAOYSA-N
MW227.33 g/mol
LogP3.01
Rot. Bonds5

About 1-[2-(3-methoxypentan-3-yl)-1,3-thiazol-5-yl]ethanone

1-[2-(3-methoxypentan-3-yl)-1,3-thiazol-5-yl]ethanone (PubChem CID 116774169) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 1-[2-(3-methoxypentan-3-yl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(3-methoxypentan-3-yl)-1,3-thiazol-5-yl]ethanone
PubChem CID116774169
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name1-[2-(3-methoxypentan-3-yl)-1,3-thiazol-5-yl]ethanone
SMILESCCC(CC)(OC)c1ncc(C(C)=O)s1
InChIInChI=1S/C11H17NO2S/c1-5-11(6-2,14-4)10-12-7-9(15-10)8(3)13/h7H,5-6H2,1-4H3
InChIKeyFAGRARHSEYNXIL-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxypentan-3-yl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(3-methoxypentan-3-yl)-1,3-thiazol-5-yl]ethanone (CID 116774169) is 1-[2-(3-methoxypentan-3-yl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(3-methoxypentan-3-yl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(3-methoxypentan-3-yl)-1,3-thiazol-5-yl]ethanone is CCC(CC)(OC)c1ncc(C(C)=O)s1.
What is the InChIKey of 1-[2-(3-methoxypentan-3-yl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is FAGRARHSEYNXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-5-11(6-2,14-4)10-12-7-9(15-10)8(3)13/h7H,5-6H2,1-4H3.
What are the key properties of 1-[2-(3-methoxypentan-3-yl)-1,3-thiazol-5-yl]ethanone?
1-[2-(3-methoxypentan-3-yl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 227.33 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxypentan-3-yl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 116774169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).