2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-(2,2,6-trimethylmorpholin-4-yl)ethanone

C18H21FN2O2S — CID 126787102

IUPAC2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)Cc2nc(-c3ccc(F)cc3)cs2)CC(C)(C)O1
InChIInChI=1S/C18H21FN2O2S/c1-12-9-21(11-18(2,3)23-12)17(22)8-16-20-15(10-24-16)13-4-6-14(19)7-5-13/h4-7,10,12H,8-9,11H2,1-3H3
InChIKeyQAIMRYMCSDXFEC-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.52
Rot. Bonds3

About 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-(2,2,6-trimethylmorpholin-4-yl)ethanone

2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-(2,2,6-trimethylmorpholin-4-yl)ethanone (PubChem CID 126787102) has the molecular formula C18H21FN2O2S and a molecular weight of 348.44 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-(2,2,6-trimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
PubChem CID126787102
Molecular FormulaC18H21FN2O2S
Molecular Weight348.44 g/mol
Exact Mass348.13
IUPAC Name2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)Cc2nc(-c3ccc(F)cc3)cs2)CC(C)(C)O1
InChIInChI=1S/C18H21FN2O2S/c1-12-9-21(11-18(2,3)23-12)17(22)8-16-20-15(10-24-16)13-4-6-14(19)7-5-13/h4-7,10,12H,8-9,11H2,1-3H3
InChIKeyQAIMRYMCSDXFEC-UHFFFAOYSA-N
XLogP3.52
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-(1-oxa-4-azaspiro[5.5]undecan-4-yl)ethanone
CID 126771577
(2R,3R)-1-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetyl]-2-methylpiperidine-3-carboxylic acid
CID 122116580
4-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]benzenecarbothioamide
CID 63611846
2-(4-fluorophenyl)-1-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone;hydrochloride
CID 71780187
2-hydroxy-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
CID 131155747
1-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoyl]piperidine-4-carboxamide
CID 110675566
3-[2-oxo-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethyl]thieno[2,3-d]pyrimidin-4-one
CID 95586221
1-[(3R,4S)-1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134700574
2-(4-bromophenoxy)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
CID 48688350
2-(2,4-dimethoxyphenyl)-1-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanone
CID 95586217
4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 116965132
3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(2-methylmorpholin-4-yl)propan-1-one
CID 110631367

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-(2,2,6-trimethylmorpholin-4-yl)ethanone?
The IUPAC name of 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-(2,2,6-trimethylmorpholin-4-yl)ethanone (CID 126787102) is 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-(2,2,6-trimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-(2,2,6-trimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-(2,2,6-trimethylmorpholin-4-yl)ethanone is CC1CN(C(=O)Cc2nc(-c3ccc(F)cc3)cs2)CC(C)(C)O1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-(2,2,6-trimethylmorpholin-4-yl)ethanone?
The InChIKey is QAIMRYMCSDXFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2S/c1-12-9-21(11-18(2,3)23-12)17(22)8-16-20-15(10-24-16)13-4-6-14(19)7-5-13/h4-7,10,12H,8-9,11H2,1-3H3.
What are the key properties of 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-(2,2,6-trimethylmorpholin-4-yl)ethanone?
2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-(2,2,6-trimethylmorpholin-4-yl)ethanone has a molecular weight of 348.44 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-(2,2,6-trimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 126787102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).