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

C12H18N2O2S — CID 167159214

IUPAC1-(2-ethyl-5-morpholin-4-yl-1,3-thiazol-4-yl)propan-1-one
SMILESCCC(=O)c1nc(CC)sc1N1CCOCC1
InChIInChI=1S/C12H18N2O2S/c1-3-9(15)11-12(17-10(4-2)13-11)14-5-7-16-8-6-14/h3-8H2,1-2H3
InChIKeyHKZNWTZSLNZGJI-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.13
Rot. Bonds4

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

1-(2-ethyl-5-morpholin-4-yl-1,3-thiazol-4-yl)propan-1-one (PubChem CID 167159214) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-(2-ethyl-5-morpholin-4-yl-1,3-thiazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-ethyl-5-morpholin-4-yl-1,3-thiazol-4-yl)propan-1-one
PubChem CID167159214
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name1-(2-ethyl-5-morpholin-4-yl-1,3-thiazol-4-yl)propan-1-one
SMILESCCC(=O)c1nc(CC)sc1N1CCOCC1
InChIInChI=1S/C12H18N2O2S/c1-3-9(15)11-12(17-10(4-2)13-11)14-5-7-16-8-6-14/h3-8H2,1-2H3
InChIKeyHKZNWTZSLNZGJI-UHFFFAOYSA-N
XLogP2.13
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.13
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
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-[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-(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

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-morpholin-4-yl-1,3-thiazol-4-yl)propan-1-one?
The IUPAC name of 1-(2-ethyl-5-morpholin-4-yl-1,3-thiazol-4-yl)propan-1-one (CID 167159214) is 1-(2-ethyl-5-morpholin-4-yl-1,3-thiazol-4-yl)propan-1-one.
What is the SMILES notation for 1-(2-ethyl-5-morpholin-4-yl-1,3-thiazol-4-yl)propan-1-one?
The canonical SMILES for 1-(2-ethyl-5-morpholin-4-yl-1,3-thiazol-4-yl)propan-1-one is CCC(=O)c1nc(CC)sc1N1CCOCC1.
What is the InChIKey of 1-(2-ethyl-5-morpholin-4-yl-1,3-thiazol-4-yl)propan-1-one?
The InChIKey is HKZNWTZSLNZGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-3-9(15)11-12(17-10(4-2)13-11)14-5-7-16-8-6-14/h3-8H2,1-2H3.
What are the key properties of 1-(2-ethyl-5-morpholin-4-yl-1,3-thiazol-4-yl)propan-1-one?
1-(2-ethyl-5-morpholin-4-yl-1,3-thiazol-4-yl)propan-1-one has a molecular weight of 254.35 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-morpholin-4-yl-1,3-thiazol-4-yl)propan-1-one is sourced from PubChem (CID 167159214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).