(3,3-dimethylmorpholin-4-yl)-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone

C16H17FN2O2S — CID 48521794

IUPAC(3,3-dimethylmorpholin-4-yl)-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone
SMILESCC1(C)COCCN1C(=O)c1csc(-c2ccccc2F)n1
InChIInChI=1S/C16H17FN2O2S/c1-16(2)10-21-8-7-19(16)15(20)13-9-22-14(18-13)11-5-3-4-6-12(11)17/h3-6,9H,7-8,10H2,1-2H3
InChIKeyHZZCKCZDSTVYRQ-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.20
Rot. Bonds2

About (3,3-dimethylmorpholin-4-yl)-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone

(3,3-dimethylmorpholin-4-yl)-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone (PubChem CID 48521794) has the molecular formula C16H17FN2O2S and a molecular weight of 320.39 g/mol. Its IUPAC name is (3,3-dimethylmorpholin-4-yl)-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name(3,3-dimethylmorpholin-4-yl)-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone
PubChem CID48521794
Molecular FormulaC16H17FN2O2S
Molecular Weight320.39 g/mol
Exact Mass320.10
IUPAC Name(3,3-dimethylmorpholin-4-yl)-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone
SMILESCC1(C)COCCN1C(=O)c1csc(-c2ccccc2F)n1
InChIInChI=1S/C16H17FN2O2S/c1-16(2)10-21-8-7-19(16)15(20)13-9-22-14(18-13)11-5-3-4-6-12(11)17/h3-6,9H,7-8,10H2,1-2H3
InChIKeyHZZCKCZDSTVYRQ-UHFFFAOYSA-N
XLogP3.20
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3,3-dimethylmorpholin-4-yl)methanone
CID 66390872
1-(3,3-dimethylmorpholin-4-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 110304615
2-(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 43142306
1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119166599
[(3R)-3-aminopyrrolidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119412889
[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 124575758
[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119651638
[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 99801779
(2R)-1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119370414
(3-aminopiperidin-1-yl)-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 119381129
1-[4-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone
CID 56521519
1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid
CID 167911729

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylmorpholin-4-yl)-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of (3,3-dimethylmorpholin-4-yl)-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone (CID 48521794) is (3,3-dimethylmorpholin-4-yl)-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for (3,3-dimethylmorpholin-4-yl)-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for (3,3-dimethylmorpholin-4-yl)-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone is CC1(C)COCCN1C(=O)c1csc(-c2ccccc2F)n1.
What is the InChIKey of (3,3-dimethylmorpholin-4-yl)-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is HZZCKCZDSTVYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2S/c1-16(2)10-21-8-7-19(16)15(20)13-9-22-14(18-13)11-5-3-4-6-12(11)17/h3-6,9H,7-8,10H2,1-2H3.
What are the key properties of (3,3-dimethylmorpholin-4-yl)-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone?
(3,3-dimethylmorpholin-4-yl)-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 320.39 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylmorpholin-4-yl)-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 48521794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).