1-(1-methoxycyclobutyl)-2-(1,3-thiazol-2-yl)ethanone

C10H13NO2S — CID 116706920

IUPAC1-(1-methoxycyclobutyl)-2-(1,3-thiazol-2-yl)ethanone
SMILESCOC1(C(=O)Cc2nccs2)CCC1
InChIInChI=1S/C10H13NO2S/c1-13-10(3-2-4-10)8(12)7-9-11-5-6-14-9/h5-6H,2-4,7H2,1H3
InChIKeyIAZPDHGNQOYCBF-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.82
Rot. Bonds4

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

1-(1-methoxycyclobutyl)-2-(1,3-thiazol-2-yl)ethanone (PubChem CID 116706920) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 1-(1-methoxycyclobutyl)-2-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-methoxycyclobutyl)-2-(1,3-thiazol-2-yl)ethanone
PubChem CID116706920
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name1-(1-methoxycyclobutyl)-2-(1,3-thiazol-2-yl)ethanone
SMILESCOC1(C(=O)Cc2nccs2)CCC1
InChIInChI=1S/C10H13NO2S/c1-13-10(3-2-4-10)8(12)7-9-11-5-6-14-9/h5-6H,2-4,7H2,1H3
InChIKeyIAZPDHGNQOYCBF-UHFFFAOYSA-N
XLogP1.82
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methoxycyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116748212
1-(1-hydroxy-4-methylcyclohexyl)-2-(1,3-thiazol-2-yl)ethanone
CID 103450798
1-(1-aminocyclohexyl)-2-(1,3-thiazol-2-yl)ethanone
CID 116550466
2-(3-chlorothiophen-2-yl)-1-(1-methoxycycloheptyl)ethanone
CID 112749502
2-(3-bromothiophen-2-yl)-1-(1-methoxycycloheptyl)ethanone
CID 116750399
2-(1-ethylimidazol-2-yl)-1-(1-methoxycyclobutyl)ethanone
CID 116707035
1-(1-methoxycyclopentyl)-2-pyridin-4-ylethanone
CID 104610156
1-(4-ethylpiperidin-4-yl)-2-(1,3-thiazol-2-yl)ethanone
CID 116568006
1-(1-ethoxycycloheptyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116750853
1-[1-(methylamino)cyclohexyl]-3-(1,3-thiazol-2-yl)propan-2-one
CID 116575387
2-(4-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone
CID 116706780
2-(5-chlorothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanone
CID 116707079

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclobutyl)-2-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(1-methoxycyclobutyl)-2-(1,3-thiazol-2-yl)ethanone (CID 116706920) is 1-(1-methoxycyclobutyl)-2-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(1-methoxycyclobutyl)-2-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(1-methoxycyclobutyl)-2-(1,3-thiazol-2-yl)ethanone is COC1(C(=O)Cc2nccs2)CCC1.
What is the InChIKey of 1-(1-methoxycyclobutyl)-2-(1,3-thiazol-2-yl)ethanone?
The InChIKey is IAZPDHGNQOYCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-13-10(3-2-4-10)8(12)7-9-11-5-6-14-9/h5-6H,2-4,7H2,1H3.
What are the key properties of 1-(1-methoxycyclobutyl)-2-(1,3-thiazol-2-yl)ethanone?
1-(1-methoxycyclobutyl)-2-(1,3-thiazol-2-yl)ethanone has a molecular weight of 211.29 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclobutyl)-2-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 116706920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).