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

C10H13NO2S — CID 116727520

IUPAC1-[2-(1-methoxycyclobutyl)-1,3-thiazol-5-yl]ethanone
SMILESCOC1(c2ncc(C(C)=O)s2)CCC1
InChIInChI=1S/C10H13NO2S/c1-7(12)8-6-11-9(14-8)10(13-2)4-3-5-10/h6H,3-5H2,1-2H3
InChIKeyOGSOERKJGYTSPM-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.37
Rot. Bonds3

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

1-[2-(1-methoxycyclobutyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 116727520) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 1-[2-(1-methoxycyclobutyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(1-methoxycyclobutyl)-1,3-thiazol-5-yl]ethanone
PubChem CID116727520
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name1-[2-(1-methoxycyclobutyl)-1,3-thiazol-5-yl]ethanone
SMILESCOC1(c2ncc(C(C)=O)s2)CCC1
InChIInChI=1S/C10H13NO2S/c1-7(12)8-6-11-9(14-8)10(13-2)4-3-5-10/h6H,3-5H2,1-2H3
InChIKeyOGSOERKJGYTSPM-UHFFFAOYSA-N
XLogP2.37
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-methoxycyclohexyl)-1,3-thiazol-5-yl]ethanone
CID 116774174
2-(1-methoxycyclohexyl)-1,3-thiazole-5-carboxylic acid
CID 116744720
2-(1-methoxycycloheptyl)-5-methyl-1,3-thiazole
CID 116782796
1-[2-(1-methoxycycloheptyl)-1,3-thiazol-5-yl]ethanol
CID 116775248
5-(chloromethyl)-2-(1-methoxycycloheptyl)-1,3-thiazole
CID 116782463
N-[[2-(1-methoxycyclobutyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 116727622
ethane;methyl 2-(1-methylcyclopentyl)-1,3-thiazole-5-carboxylate
CID 144668787
1-[2-(1-methoxycyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 116774126
2-(1-methoxycyclobutyl)-1,3-thiazole-4-carboxylic acid
CID 116705157
N-(5-acetyl-1,3-thiazol-2-yl)-1-aminocyclohexane-1-carboxamide;hydrochloride
CID 119329729
N-(5-acetyl-1,3-thiazol-2-yl)acetamide;hydrobromide
CID 141437106
1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanone
CID 62756912

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methoxycyclobutyl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(1-methoxycyclobutyl)-1,3-thiazol-5-yl]ethanone (CID 116727520) is 1-[2-(1-methoxycyclobutyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(1-methoxycyclobutyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(1-methoxycyclobutyl)-1,3-thiazol-5-yl]ethanone is COC1(c2ncc(C(C)=O)s2)CCC1.
What is the InChIKey of 1-[2-(1-methoxycyclobutyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is OGSOERKJGYTSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-7(12)8-6-11-9(14-8)10(13-2)4-3-5-10/h6H,3-5H2,1-2H3.
What are the key properties of 1-[2-(1-methoxycyclobutyl)-1,3-thiazol-5-yl]ethanone?
1-[2-(1-methoxycyclobutyl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 211.29 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methoxycyclobutyl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 116727520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).