4-(2,4-dimethylphenyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazole

C23H17F3N2OS — CID 2742360

IUPAC4-(2,4-dimethylphenyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazole
SMILESCc1ccc(-c2csc(-c3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)n2)c(C)c1
InChIInChI=1S/C23H17F3N2OS/c1-14-3-9-19(15(2)11-14)20-13-30-22(28-20)16-4-7-18(8-5-16)29-21-10-6-17(12-27-21)23(24,25)26/h3-13H,1-2H3
InChIKeyTZBFAVHXBMDFJY-UHFFFAOYSA-N
MW426.46 g/mol
LogP7.30
Rot. Bonds4

About 4-(2,4-dimethylphenyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazole

4-(2,4-dimethylphenyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazole (PubChem CID 2742360) has the molecular formula C23H17F3N2OS and a molecular weight of 426.46 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazole
PubChem CID2742360
Molecular FormulaC23H17F3N2OS
Molecular Weight426.46 g/mol
Exact Mass426.10
IUPAC Name4-(2,4-dimethylphenyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazole
SMILESCc1ccc(-c2csc(-c3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)n2)c(C)c1
InChIInChI=1S/C23H17F3N2OS/c1-14-3-9-19(15(2)11-14)20-13-30-22(28-20)16-4-7-18(8-5-16)29-21-10-6-17(12-27-21)23(24,25)26/h3-13H,1-2H3
InChIKeyTZBFAVHXBMDFJY-UHFFFAOYSA-N
XLogP7.30
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.46
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(2,4-dimethylphenyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazole?
The IUPAC name of 4-(2,4-dimethylphenyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazole (CID 2742360) is 4-(2,4-dimethylphenyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazole.
What is the SMILES notation for 4-(2,4-dimethylphenyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazole?
The canonical SMILES for 4-(2,4-dimethylphenyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazole is Cc1ccc(-c2csc(-c3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)n2)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylphenyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazole?
The InChIKey is TZBFAVHXBMDFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2OS/c1-14-3-9-19(15(2)11-14)20-13-30-22(28-20)16-4-7-18(8-5-16)29-21-10-6-17(12-27-21)23(24,25)26/h3-13H,1-2H3.
What are the key properties of 4-(2,4-dimethylphenyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazole?
4-(2,4-dimethylphenyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazole has a molecular weight of 426.46 g/mol, XLogP of 7.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazole is sourced from PubChem (CID 2742360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).