1-[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanone

C12H19NO2S — CID 116774121

IUPAC1-[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCCC(CC)(OC)c1nc(C)c(C(C)=O)s1
InChIInChI=1S/C12H19NO2S/c1-6-12(7-2,15-5)11-13-8(3)10(16-11)9(4)14/h6-7H2,1-5H3
InChIKeyFCZVMOWAIJASAE-UHFFFAOYSA-N
MW241.36 g/mol
LogP3.32
Rot. Bonds5

About 1-[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanone

1-[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanone (PubChem CID 116774121) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
PubChem CID116774121
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name1-[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCCC(CC)(OC)c1nc(C)c(C(C)=O)s1
InChIInChI=1S/C12H19NO2S/c1-6-12(7-2,15-5)11-13-8(3)10(16-11)9(4)14/h6-7H2,1-5H3
InChIKeyFCZVMOWAIJASAE-UHFFFAOYSA-N
XLogP3.32
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-2-(3-methoxypentan-3-yl)-1,3-thiazole-5-carboxylic acid
CID 114359467
N-[[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 116777851
1-[2-(3-methoxypentan-3-yl)-1,3-thiazol-5-yl]ethanone
CID 116774169
N-ethyl-1-[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 116774273
1-(2-bromo-4-methyl-1,3-thiazol-5-yl)ethanone
CID 66644881
5-acetyl-4-methyl-1,3-thiazole-2-carboxylic acid
CID 130676708
2-(3-methoxypentan-3-yl)-1,3-thiazole-4-carboxylic acid
CID 116744386
1-(2-ethylsulfanyl-4-methyl-1,3-thiazol-5-yl)ethanone
CID 83881059
2-amino-1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethanone
CID 105466261
1-[2-[ethyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 62750809
1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanone
CID 103476002
2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 19885502

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanone (CID 116774121) is 1-[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanone is CCC(CC)(OC)c1nc(C)c(C(C)=O)s1.
What is the InChIKey of 1-[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is FCZVMOWAIJASAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-6-12(7-2,15-5)11-13-8(3)10(16-11)9(4)14/h6-7H2,1-5H3.
What are the key properties of 1-[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanone?
1-[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 241.36 g/mol, XLogP of 3.32, 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)-4-methyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 116774121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).