1-(2-acetyl-5-morpholin-4-yl-1,3-thiazol-4-yl)propan-1-one

C12H16N2O3S — CID 138515468

IUPAC1-(2-acetyl-5-morpholin-4-yl-1,3-thiazol-4-yl)propan-1-one
SMILESCCC(=O)c1nc(C(C)=O)sc1N1CCOCC1
InChIInChI=1S/C12H16N2O3S/c1-3-9(16)10-12(14-4-6-17-7-5-14)18-11(13-10)8(2)15/h3-7H2,1-2H3
InChIKeyPJBGWNCKRBDWHG-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.77
Rot. Bonds4

About 1-(2-acetyl-5-morpholin-4-yl-1,3-thiazol-4-yl)propan-1-one

1-(2-acetyl-5-morpholin-4-yl-1,3-thiazol-4-yl)propan-1-one (PubChem CID 138515468) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 1-(2-acetyl-5-morpholin-4-yl-1,3-thiazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-acetyl-5-morpholin-4-yl-1,3-thiazol-4-yl)propan-1-one
PubChem CID138515468
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name1-(2-acetyl-5-morpholin-4-yl-1,3-thiazol-4-yl)propan-1-one
SMILESCCC(=O)c1nc(C(C)=O)sc1N1CCOCC1
InChIInChI=1S/C12H16N2O3S/c1-3-9(16)10-12(14-4-6-17-7-5-14)18-11(13-10)8(2)15/h3-7H2,1-2H3
InChIKeyPJBGWNCKRBDWHG-UHFFFAOYSA-N
XLogP1.77
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(1,1-Difluoroethyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone
CID 126498021
1-[5-[(1S,6R)-2-oxa-5-azabicyclo[4.1.0]heptan-5-yl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone
CID 126498075
1-[5-[(1R,6S)-2-oxa-5-azabicyclo[4.1.0]heptan-5-yl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone
CID 126498077
4-[4-Acetyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]morpholin-3-one
CID 126498080
6-methyl-2-(morpholin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-b]pyridin-7-one
CID 20583208
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

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetyl-5-morpholin-4-yl-1,3-thiazol-4-yl)propan-1-one?
The IUPAC name of 1-(2-acetyl-5-morpholin-4-yl-1,3-thiazol-4-yl)propan-1-one (CID 138515468) is 1-(2-acetyl-5-morpholin-4-yl-1,3-thiazol-4-yl)propan-1-one.
What is the SMILES notation for 1-(2-acetyl-5-morpholin-4-yl-1,3-thiazol-4-yl)propan-1-one?
The canonical SMILES for 1-(2-acetyl-5-morpholin-4-yl-1,3-thiazol-4-yl)propan-1-one is CCC(=O)c1nc(C(C)=O)sc1N1CCOCC1.
What is the InChIKey of 1-(2-acetyl-5-morpholin-4-yl-1,3-thiazol-4-yl)propan-1-one?
The InChIKey is PJBGWNCKRBDWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-3-9(16)10-12(14-4-6-17-7-5-14)18-11(13-10)8(2)15/h3-7H2,1-2H3.
What are the key properties of 1-(2-acetyl-5-morpholin-4-yl-1,3-thiazol-4-yl)propan-1-one?
1-(2-acetyl-5-morpholin-4-yl-1,3-thiazol-4-yl)propan-1-one has a molecular weight of 268.34 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetyl-5-morpholin-4-yl-1,3-thiazol-4-yl)propan-1-one is sourced from PubChem (CID 138515468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).