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

C17H19FN2O2S — CID 56792147

IUPAC(2,2-dimethylmorpholin-4-yl)-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone
SMILESCC1(C)CN(C(=O)c2csc(Cc3ccccc3F)n2)CCO1
InChIInChI=1S/C17H19FN2O2S/c1-17(2)11-20(7-8-22-17)16(21)14-10-23-15(19-14)9-12-5-3-4-6-13(12)18/h3-6,10H,7-9,11H2,1-2H3
InChIKeyHGUBSLFYJOKMCY-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.12
Rot. Bonds3

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

(2,2-dimethylmorpholin-4-yl)-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone (PubChem CID 56792147) has the molecular formula C17H19FN2O2S and a molecular weight of 334.42 g/mol. Its IUPAC name is (2,2-dimethylmorpholin-4-yl)-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name(2,2-dimethylmorpholin-4-yl)-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone
PubChem CID56792147
Molecular FormulaC17H19FN2O2S
Molecular Weight334.42 g/mol
Exact Mass334.12
IUPAC Name(2,2-dimethylmorpholin-4-yl)-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone
SMILESCC1(C)CN(C(=O)c2csc(Cc3ccccc3F)n2)CCO1
InChIInChI=1S/C17H19FN2O2S/c1-17(2)11-20(7-8-22-17)16(21)14-10-23-15(19-14)9-12-5-3-4-6-13(12)18/h3-6,10H,7-9,11H2,1-2H3
InChIKeyHGUBSLFYJOKMCY-UHFFFAOYSA-N
XLogP3.12
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119166749
2-fluoro-N-[1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide
CID 86967605
(2,3-dimethylpiperazin-1-yl)-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 120572291
[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]-[2-(methoxymethyl)azetidin-1-yl]methanone
CID 136545307
[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119648906
3-[(3R)-1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidin-3-yl]propanoic acid
CID 124702022
(2S)-1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid
CID 99639921
(6-amino-2-pyridinyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 55052527
(3R)-1-(2-benzyl-1,3-thiazole-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 124695817
(2,2-dimethylmorpholin-4-yl)-[4-(methylamino)-2-pyridinyl]methanone
CID 62170441
(2,2-dimethylmorpholin-4-yl)-[5-(methylamino)pyrazin-2-yl]methanone
CID 107374614
2-[(2-fluorophenyl)methyl]-N-(3-hydroxybutyl)-1,3-thiazole-4-carboxamide
CID 111433392

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylmorpholin-4-yl)-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone?
The IUPAC name of (2,2-dimethylmorpholin-4-yl)-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone (CID 56792147) is (2,2-dimethylmorpholin-4-yl)-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for (2,2-dimethylmorpholin-4-yl)-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone?
The canonical SMILES for (2,2-dimethylmorpholin-4-yl)-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone is CC1(C)CN(C(=O)c2csc(Cc3ccccc3F)n2)CCO1.
What is the InChIKey of (2,2-dimethylmorpholin-4-yl)-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone?
The InChIKey is HGUBSLFYJOKMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2S/c1-17(2)11-20(7-8-22-17)16(21)14-10-23-15(19-14)9-12-5-3-4-6-13(12)18/h3-6,10H,7-9,11H2,1-2H3.
What are the key properties of (2,2-dimethylmorpholin-4-yl)-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone?
(2,2-dimethylmorpholin-4-yl)-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone has a molecular weight of 334.42 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylmorpholin-4-yl)-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 56792147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).