1-(2-cyclobutyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone

C13H18N2O2S — CID 134460638

IUPAC1-(2-cyclobutyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
SMILESCC(=O)c1nc(C2CCC2)sc1N1CCOCC1
InChIInChI=1S/C13H18N2O2S/c1-9(16)11-13(15-5-7-17-8-6-15)18-12(14-11)10-3-2-4-10/h10H,2-8H2,1H3
InChIKeyBONHABOYWVDBFA-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.45
Rot. Bonds3

About 1-(2-cyclobutyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone

1-(2-cyclobutyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone (PubChem CID 134460638) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-(2-cyclobutyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-cyclobutyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
PubChem CID134460638
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name1-(2-cyclobutyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
SMILESCC(=O)c1nc(C2CCC2)sc1N1CCOCC1
InChIInChI=1S/C13H18N2O2S/c1-9(16)11-13(15-5-7-17-8-6-15)18-12(14-11)10-3-2-4-10/h10H,2-8H2,1H3
InChIKeyBONHABOYWVDBFA-UHFFFAOYSA-N
XLogP2.45
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(1,1-Difluoroethyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone
CID 126498021
Ethyl 2-cyclobutyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate
CID 126482823
1-(2-Methyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
CID 126497974
1-(5-Morpholin-4-yl-1,3-thiazol-4-yl)ethanone
CID 126497996
1-(2-Bromo-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
CID 126497997
1-(2-Cyclopropyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
CID 126497999
1-(2-Ethyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
CID 126498007
1-[2-(Cyclohexen-1-yl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone
CID 126498017
1-(2-Cyclohexyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
CID 126498018
1-[2-(1-Ethoxyethenyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone
CID 126498019
1-(2-Acetyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
CID 126498020
1-[2-(2-Hydroxypropan-2-yl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone
CID 126498040

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(2-cyclobutyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone (CID 134460638) is 1-(2-cyclobutyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(2-cyclobutyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(2-cyclobutyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone is CC(=O)c1nc(C2CCC2)sc1N1CCOCC1.
What is the InChIKey of 1-(2-cyclobutyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone?
The InChIKey is BONHABOYWVDBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-9(16)11-13(15-5-7-17-8-6-15)18-12(14-11)10-3-2-4-10/h10H,2-8H2,1H3.
What are the key properties of 1-(2-cyclobutyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone?
1-(2-cyclobutyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone has a molecular weight of 266.37 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 134460638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).