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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Related Compounds

2-bromo-1-[2-(3-methoxy-5-methylheptan-3-yl)-1,3-thiazol-5-yl]ethanone
CID 176571907
1-[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 116774121
1-[2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-5-yl]ethanone
CID 63965723
2-ethoxy-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782652
1-[2-(1-methoxybutyl)-1,3-thiazol-5-yl]ethanone
CID 116727518
2-(3-methoxypentan-3-yl)-1,3-thiazole-4-carboxylic acid
CID 116744386
2-amino-2-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106784750
tert-butyl 2-(5-acetyl-1,3-thiazol-2-yl)acetate
CID 158284808
1-[2-(2-ethoxyethyl)-1,3-thiazol-5-yl]ethanone
CID 106815106
1-[2-[bis(2-methoxyethyl)amino]-1,3-thiazol-5-yl]ethanone
CID 62750308
4-tert-butyl-2-(3-methoxypentan-3-yl)-1,3-thiazole-5-carboxylic acid
CID 114359467
1-(2-amino-1,3-thiazol-5-yl)ethanone;hydrobromide
CID 13130947

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).