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

C19H14F2N2O2S — CID 99801779

IUPAC[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone
SMILESO=C(c1csc(-c2ccccc2F)n1)N1CC(O)(c2ccc(F)cc2)C1
InChIInChI=1S/C19H14F2N2O2S/c20-13-7-5-12(6-8-13)19(25)10-23(11-19)18(24)16-9-26-17(22-16)14-3-1-2-4-15(14)21/h1-9,25H,10-11H2
InChIKeyUVXVVDOAALFBHK-UHFFFAOYSA-N
MW372.40 g/mol
LogP3.43
Rot. Bonds3

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

[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone (PubChem CID 99801779) has the molecular formula C19H14F2N2O2S and a molecular weight of 372.40 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone
PubChem CID99801779
Molecular FormulaC19H14F2N2O2S
Molecular Weight372.40 g/mol
Exact Mass372.07
IUPAC Name[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone
SMILESO=C(c1csc(-c2ccccc2F)n1)N1CC(O)(c2ccc(F)cc2)C1
InChIInChI=1S/C19H14F2N2O2S/c20-13-7-5-12(6-8-13)19(25)10-23(11-19)18(24)16-9-26-17(22-16)14-3-1-2-4-15(14)21/h1-9,25H,10-11H2
InChIKeyUVXVVDOAALFBHK-UHFFFAOYSA-N
XLogP3.43
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 120656890
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
(3-aminopiperidin-1-yl)-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 119381129
[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 97201597
2-(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 43142306
[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 124575758
1-[4-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone
CID 56521519
methyl 1-[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-3-methylazetidine-3-carboxylate
CID 126422946
[4-(2-chlorophenyl)piperazin-1-yl]-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 25356068
(3,3-dimethylmorpholin-4-yl)-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 48521794
[4-(2-chloroanilino)piperidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 52836323

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of [3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone (CID 99801779) is [3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone is O=C(c1csc(-c2ccccc2F)n1)N1CC(O)(c2ccc(F)cc2)C1.
What is the InChIKey of [3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is UVXVVDOAALFBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N2O2S/c20-13-7-5-12(6-8-13)19(25)10-23(11-19)18(24)16-9-26-17(22-16)14-3-1-2-4-15(14)21/h1-9,25H,10-11H2.
What are the key properties of [3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone?
[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 372.40 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 99801779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).