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

C9H11BrN2O2S — CID 126497997

IUPAC1-(2-bromo-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
SMILESCC(=O)c1nc(Br)sc1N1CCOCC1
InChIInChI=1S/C9H11BrN2O2S/c1-6(13)7-8(15-9(10)11-7)12-2-4-14-5-3-12/h2-5H2,1H3
InChIKeyFZTSRJKOYGRURT-UHFFFAOYSA-N
MW291.17 g/mol
LogP1.94
Rot. Bonds2

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

1-(2-bromo-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone (PubChem CID 126497997) has the molecular formula C9H11BrN2O2S and a molecular weight of 291.17 g/mol. Its IUPAC name is 1-(2-bromo-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
PubChem CID126497997
Molecular FormulaC9H11BrN2O2S
Molecular Weight291.17 g/mol
Exact Mass289.97
IUPAC Name1-(2-bromo-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
SMILESCC(=O)c1nc(Br)sc1N1CCOCC1
InChIInChI=1S/C9H11BrN2O2S/c1-6(13)7-8(15-9(10)11-7)12-2-4-14-5-3-12/h2-5H2,1H3
InChIKeyFZTSRJKOYGRURT-UHFFFAOYSA-N
XLogP1.94
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 51.94
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
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
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-[5-(2-Methoxyethylamino)-2-methyl-1,3-thiazol-4-yl]ethanone
CID 126497998
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

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(2-bromo-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone (CID 126497997) is 1-(2-bromo-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(2-bromo-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(2-bromo-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone is CC(=O)c1nc(Br)sc1N1CCOCC1.
What is the InChIKey of 1-(2-bromo-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone?
The InChIKey is FZTSRJKOYGRURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2S/c1-6(13)7-8(15-9(10)11-7)12-2-4-14-5-3-12/h2-5H2,1H3.
What are the key properties of 1-(2-bromo-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone?
1-(2-bromo-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone has a molecular weight of 291.17 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 126497997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).