[4-(4-methoxyphenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-[4-(trifluoromethyl)phenyl]methanone

C23H15F3N2O2S — CID 162537292

IUPAC[4-(4-methoxyphenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCOc1ccc(-c2nc(-c3cccnc3)sc2C(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C23H15F3N2O2S/c1-30-18-10-6-14(7-11-18)19-21(31-22(28-19)16-3-2-12-27-13-16)20(29)15-4-8-17(9-5-15)23(24,25)26/h2-13H,1H3
InChIKeyVQKGTHLRADYYHL-UHFFFAOYSA-N
MW440.45 g/mol
LogP6.13
Rot. Bonds5

About [4-(4-methoxyphenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-[4-(trifluoromethyl)phenyl]methanone

[4-(4-methoxyphenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 162537292) has the molecular formula C23H15F3N2O2S and a molecular weight of 440.45 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID162537292
Molecular FormulaC23H15F3N2O2S
Molecular Weight440.45 g/mol
Exact Mass440.08
IUPAC Name[4-(4-methoxyphenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCOc1ccc(-c2nc(-c3cccnc3)sc2C(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C23H15F3N2O2S/c1-30-18-10-6-14(7-11-18)19-21(31-22(28-19)16-3-2-12-27-13-16)20(29)15-4-8-17(9-5-15)23(24,25)26/h2-13H,1H3
InChIKeyVQKGTHLRADYYHL-UHFFFAOYSA-N
XLogP6.13
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.45
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-(4-methoxyphenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 162537292) is [4-(4-methoxyphenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-(4-methoxyphenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-(4-methoxyphenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-[4-(trifluoromethyl)phenyl]methanone is COc1ccc(-c2nc(-c3cccnc3)sc2C(=O)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is VQKGTHLRADYYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N2O2S/c1-30-18-10-6-14(7-11-18)19-21(31-22(28-19)16-3-2-12-27-13-16)20(29)15-4-8-17(9-5-15)23(24,25)26/h2-13H,1H3.
What are the key properties of [4-(4-methoxyphenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-[4-(trifluoromethyl)phenyl]methanone?
[4-(4-methoxyphenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 440.45 g/mol, XLogP of 6.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 162537292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).