1-[2-(1-hydroxycyclobutyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone

C13H18N2O3S — CID 126498063

IUPAC1-[2-(1-hydroxycyclobutyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1nc(C2(O)CCC2)sc1N1CCOCC1
InChIInChI=1S/C13H18N2O3S/c1-9(16)10-11(15-5-7-18-8-6-15)19-12(14-10)13(17)3-2-4-13/h17H,2-8H2,1H3
InChIKeyDPBPASSYWRXWJG-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.55
Rot. Bonds3

About 1-[2-(1-hydroxycyclobutyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone

1-[2-(1-hydroxycyclobutyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone (PubChem CID 126498063) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-[2-(1-hydroxycyclobutyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(1-hydroxycyclobutyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone
PubChem CID126498063
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name1-[2-(1-hydroxycyclobutyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1nc(C2(O)CCC2)sc1N1CCOCC1
InChIInChI=1S/C13H18N2O3S/c1-9(16)10-11(15-5-7-18-8-6-15)19-12(14-10)13(17)3-2-4-13/h17H,2-8H2,1H3
InChIKeyDPBPASSYWRXWJG-UHFFFAOYSA-N
XLogP1.55
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-(1-hydroxycyclobutyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone with MolForge

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Related Compounds

US11390631, Example 455
CID 126482627
1-[2-(1,1-Difluoroethyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone
CID 126498021
1-(2-Methyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
CID 126497974
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-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
1-(2-Cyclobutyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
CID 134460638
1-(2-Acetyl-5-morpholin-4-yl-1,3-thiazol-4-yl)propan-1-one
CID 138515468

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-hydroxycyclobutyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-(1-hydroxycyclobutyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone (CID 126498063) is 1-[2-(1-hydroxycyclobutyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(1-hydroxycyclobutyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(1-hydroxycyclobutyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone is CC(=O)c1nc(C2(O)CCC2)sc1N1CCOCC1.
What is the InChIKey of 1-[2-(1-hydroxycyclobutyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone?
The InChIKey is DPBPASSYWRXWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-9(16)10-11(15-5-7-18-8-6-15)19-12(14-10)13(17)3-2-4-13/h17H,2-8H2,1H3.
What are the key properties of 1-[2-(1-hydroxycyclobutyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone?
1-[2-(1-hydroxycyclobutyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone has a molecular weight of 282.36 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-hydroxycyclobutyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 126498063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).