(2,3-difluorophenyl)-[5-(4-fluorophenyl)-2-(2-methoxy-3-pyridinyl)-2H-1,3-thiazol-3-yl]methanone

C22H15F3N2O2S — CID 58025741

IUPAC(2,3-difluorophenyl)-[5-(4-fluorophenyl)-2-(2-methoxy-3-pyridinyl)-2H-1,3-thiazol-3-yl]methanone
SMILESCOc1ncccc1C1SC(c2ccc(F)cc2)=CN1C(=O)c1cccc(F)c1F
InChIInChI=1S/C22H15F3N2O2S/c1-29-20-16(5-3-11-26-20)22-27(21(28)15-4-2-6-17(24)19(15)25)12-18(30-22)13-7-9-14(23)10-8-13/h2-12,22H,1H3
InChIKeyLFBUBMGKFIVSIF-UHFFFAOYSA-N
MW428.44 g/mol
LogP5.39
Rot. Bonds4

About (2,3-difluorophenyl)-[5-(4-fluorophenyl)-2-(2-methoxy-3-pyridinyl)-2H-1,3-thiazol-3-yl]methanone

(2,3-difluorophenyl)-[5-(4-fluorophenyl)-2-(2-methoxy-3-pyridinyl)-2H-1,3-thiazol-3-yl]methanone (PubChem CID 58025741) has the molecular formula C22H15F3N2O2S and a molecular weight of 428.44 g/mol. Its IUPAC name is (2,3-difluorophenyl)-[5-(4-fluorophenyl)-2-(2-methoxy-3-pyridinyl)-2H-1,3-thiazol-3-yl]methanone.

Molecular Properties

Compound Name(2,3-difluorophenyl)-[5-(4-fluorophenyl)-2-(2-methoxy-3-pyridinyl)-2H-1,3-thiazol-3-yl]methanone
PubChem CID58025741
Molecular FormulaC22H15F3N2O2S
Molecular Weight428.44 g/mol
Exact Mass428.08
IUPAC Name(2,3-difluorophenyl)-[5-(4-fluorophenyl)-2-(2-methoxy-3-pyridinyl)-2H-1,3-thiazol-3-yl]methanone
SMILESCOc1ncccc1C1SC(c2ccc(F)cc2)=CN1C(=O)c1cccc(F)c1F
InChIInChI=1S/C22H15F3N2O2S/c1-29-20-16(5-3-11-26-20)22-27(21(28)15-4-2-6-17(24)19(15)25)12-18(30-22)13-7-9-14(23)10-8-13/h2-12,22H,1H3
InChIKeyLFBUBMGKFIVSIF-UHFFFAOYSA-N
XLogP5.39
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.44
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-fluorophenyl)-2-(2-methoxy-3-pyridinyl)-2H-1,3-thiazol-3-yl]-(2,4,5-trifluorophenyl)methanone
CID 58025612
(3-fluorophenyl)-[5-(4-fluorophenyl)-2-(2-methoxy-3-pyridinyl)-2H-1,3,4-thiadiazol-3-yl]methanone
CID 67149278
[(2R)-5-(4-fluorophenyl)-2-(2-methoxy-3-pyridinyl)-2H-1,3,4-thiadiazol-3-yl]-(2,4,6-trifluorophenyl)methanone
CID 58025937
1,3-benzodioxol-5-yl-[5-(4-fluorophenyl)-2-(2-methoxy-3-pyridinyl)-2H-1,3,4-thiadiazol-3-yl]methanone
CID 58025613
cyclohexyl-[5-(4-fluorophenyl)-2-(2-methoxy-3-pyridinyl)-2H-1,3,4-thiadiazol-3-yl]methanone
CID 58025767
(3-fluoro-2-hydroxyphenyl)-[2-(4-fluoro-2-methoxyphenyl)-5-(4-fluorophenyl)-2H-1,3,4-thiadiazol-3-yl]methanone
CID 67149343
1-[3-[5-(4-fluorophenyl)-3-(2,4,5-trifluoro-3-methoxybenzoyl)-2H-1,3,4-thiadiazol-2-yl]-2-methoxyphenoxy]propan-2-one
CID 87287180
(3-fluoro-2-hydroxyphenyl)-[5-(4-fluorophenyl)-2-(2-methoxy-4-methylphenyl)-2H-1,3,4-thiadiazol-3-yl]methanone
CID 67149473
[2-(2,3-dimethoxyphenyl)-5-(4-fluorophenyl)-2H-1,3,4-thiadiazol-3-yl]-(2,4,5-trifluorophenyl)methanone
CID 23648553
(3,4-difluorophenyl)-[5-(4-fluorophenyl)-2-(2-methoxyphenyl)-2H-1,3,4-thiadiazol-3-yl]methanone
CID 67149399
[5-(4-fluorophenyl)-2-(2-methoxyphenyl)-2H-1,3,4-thiadiazol-3-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone
CID 87287161
1-[4-[[3-[5-(4-fluorophenyl)-3-(2-hydroxybenzoyl)-2H-1,3,4-thiadiazol-2-yl]-2-methoxyphenoxy]methyl]phenyl]ethanone
CID 67149467

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-[5-(4-fluorophenyl)-2-(2-methoxy-3-pyridinyl)-2H-1,3-thiazol-3-yl]methanone?
The IUPAC name of (2,3-difluorophenyl)-[5-(4-fluorophenyl)-2-(2-methoxy-3-pyridinyl)-2H-1,3-thiazol-3-yl]methanone (CID 58025741) is (2,3-difluorophenyl)-[5-(4-fluorophenyl)-2-(2-methoxy-3-pyridinyl)-2H-1,3-thiazol-3-yl]methanone.
What is the SMILES notation for (2,3-difluorophenyl)-[5-(4-fluorophenyl)-2-(2-methoxy-3-pyridinyl)-2H-1,3-thiazol-3-yl]methanone?
The canonical SMILES for (2,3-difluorophenyl)-[5-(4-fluorophenyl)-2-(2-methoxy-3-pyridinyl)-2H-1,3-thiazol-3-yl]methanone is COc1ncccc1C1SC(c2ccc(F)cc2)=CN1C(=O)c1cccc(F)c1F.
What is the InChIKey of (2,3-difluorophenyl)-[5-(4-fluorophenyl)-2-(2-methoxy-3-pyridinyl)-2H-1,3-thiazol-3-yl]methanone?
The InChIKey is LFBUBMGKFIVSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O2S/c1-29-20-16(5-3-11-26-20)22-27(21(28)15-4-2-6-17(24)19(15)25)12-18(30-22)13-7-9-14(23)10-8-13/h2-12,22H,1H3.
What are the key properties of (2,3-difluorophenyl)-[5-(4-fluorophenyl)-2-(2-methoxy-3-pyridinyl)-2H-1,3-thiazol-3-yl]methanone?
(2,3-difluorophenyl)-[5-(4-fluorophenyl)-2-(2-methoxy-3-pyridinyl)-2H-1,3-thiazol-3-yl]methanone has a molecular weight of 428.44 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-[5-(4-fluorophenyl)-2-(2-methoxy-3-pyridinyl)-2H-1,3-thiazol-3-yl]methanone is sourced from PubChem (CID 58025741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).