[5-(4-fluorophenyl)-2-(2-methoxyphenyl)-2H-1,3,4-thiadiazol-3-yl]-(5-fluoro-3-pyridinyl)methanone

C21H15F2N3O2S — CID 58025884

IUPAC[5-(4-fluorophenyl)-2-(2-methoxyphenyl)-2H-1,3,4-thiadiazol-3-yl]-(5-fluoro-3-pyridinyl)methanone
SMILESCOc1ccccc1C1SC(c2ccc(F)cc2)=NN1C(=O)c1cncc(F)c1
InChIInChI=1S/C21H15F2N3O2S/c1-28-18-5-3-2-4-17(18)21-26(20(27)14-10-16(23)12-24-11-14)25-19(29-21)13-6-8-15(22)9-7-13/h2-12,21H,1H3
InChIKeyFZWWZYGOKAMWMT-UHFFFAOYSA-N
MW411.43 g/mol
LogP4.62
Rot. Bonds4

About [5-(4-fluorophenyl)-2-(2-methoxyphenyl)-2H-1,3,4-thiadiazol-3-yl]-(5-fluoro-3-pyridinyl)methanone

[5-(4-fluorophenyl)-2-(2-methoxyphenyl)-2H-1,3,4-thiadiazol-3-yl]-(5-fluoro-3-pyridinyl)methanone (PubChem CID 58025884) has the molecular formula C21H15F2N3O2S and a molecular weight of 411.43 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-2-(2-methoxyphenyl)-2H-1,3,4-thiadiazol-3-yl]-(5-fluoro-3-pyridinyl)methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-2-(2-methoxyphenyl)-2H-1,3,4-thiadiazol-3-yl]-(5-fluoro-3-pyridinyl)methanone
PubChem CID58025884
Molecular FormulaC21H15F2N3O2S
Molecular Weight411.43 g/mol
Exact Mass411.09
IUPAC Name[5-(4-fluorophenyl)-2-(2-methoxyphenyl)-2H-1,3,4-thiadiazol-3-yl]-(5-fluoro-3-pyridinyl)methanone
SMILESCOc1ccccc1C1SC(c2ccc(F)cc2)=NN1C(=O)c1cncc(F)c1
InChIInChI=1S/C21H15F2N3O2S/c1-28-18-5-3-2-4-17(18)21-26(20(27)14-10-16(23)12-24-11-14)25-19(29-21)13-6-8-15(22)9-7-13/h2-12,21H,1H3
InChIKeyFZWWZYGOKAMWMT-UHFFFAOYSA-N
XLogP4.62
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-Fluorophenyl)-2-(2-methoxypyridin-3-yl)-3-[(2,4,6-trifluorophenyl)carbonyl]-2,3-dihydro-1,3,4-thiadiazole
CID 23648539
[3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl](pyridin-3-yl)methanone
CID 4550586
1H-Pyrazole, 4,5-dihydro-5-(2-methoxyphenyl)-1-(3-pyridinylcarbonyl)-
CID 3078471
N-[2-(2-methoxyphenyl)-4-oxo-1,3-thiazinan-3-yl]pyridine-4-carboxamide
CID 70691965
N-(2-(4-methoxyphenyl)-4-oxothiazolidin-3-yl)nicotinamide
CID 25256866
5-(5-fluoro-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 46032993
5-fluoro-N-[(4-methoxyphenyl)methyl]-N-[(E)-3-phenylprop-2-enoyl]pyridine-3-carboxamide
CID 177854683
[3-(2-Hydroxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
CID 16285084
2-[(2-fluorophenyl)methylsulfanyl]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 16003196
[5-(2,5-Difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydrochromene]-3-yl]-pyridin-3-ylmethanone
CID 42634876
2-[3-(4-fluorophenyl)propylsulfanyl]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 46908251
2-[3-(4-fluorophenyl)propylsulfanyl]-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 46908252

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-2-(2-methoxyphenyl)-2H-1,3,4-thiadiazol-3-yl]-(5-fluoro-3-pyridinyl)methanone?
The IUPAC name of [5-(4-fluorophenyl)-2-(2-methoxyphenyl)-2H-1,3,4-thiadiazol-3-yl]-(5-fluoro-3-pyridinyl)methanone (CID 58025884) is [5-(4-fluorophenyl)-2-(2-methoxyphenyl)-2H-1,3,4-thiadiazol-3-yl]-(5-fluoro-3-pyridinyl)methanone.
What is the SMILES notation for [5-(4-fluorophenyl)-2-(2-methoxyphenyl)-2H-1,3,4-thiadiazol-3-yl]-(5-fluoro-3-pyridinyl)methanone?
The canonical SMILES for [5-(4-fluorophenyl)-2-(2-methoxyphenyl)-2H-1,3,4-thiadiazol-3-yl]-(5-fluoro-3-pyridinyl)methanone is COc1ccccc1C1SC(c2ccc(F)cc2)=NN1C(=O)c1cncc(F)c1.
What is the InChIKey of [5-(4-fluorophenyl)-2-(2-methoxyphenyl)-2H-1,3,4-thiadiazol-3-yl]-(5-fluoro-3-pyridinyl)methanone?
The InChIKey is FZWWZYGOKAMWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O2S/c1-28-18-5-3-2-4-17(18)21-26(20(27)14-10-16(23)12-24-11-14)25-19(29-21)13-6-8-15(22)9-7-13/h2-12,21H,1H3.
What are the key properties of [5-(4-fluorophenyl)-2-(2-methoxyphenyl)-2H-1,3,4-thiadiazol-3-yl]-(5-fluoro-3-pyridinyl)methanone?
[5-(4-fluorophenyl)-2-(2-methoxyphenyl)-2H-1,3,4-thiadiazol-3-yl]-(5-fluoro-3-pyridinyl)methanone has a molecular weight of 411.43 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-2-(2-methoxyphenyl)-2H-1,3,4-thiadiazol-3-yl]-(5-fluoro-3-pyridinyl)methanone is sourced from PubChem (CID 58025884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).