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

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Related Compounds

4-[4-(3-Methoxyphenyl)-1,3-thiazol-2-yl]-2-propylpyridine
CID 7680155
4-[4-(2-Methoxyphenyl)-1,3-thiazol-2-yl]-2-propylpyridine
CID 8057056
3-(4-Methoxyphenyl)-5-[(2-methyl-4-thiazolyl)ethynyl]pyridine
CID 11673933
N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
CID 146293558
4-(4-Methoxy-3-methylphenyl)-2-pyridin-3-yl-1,3-thiazole
CID 885223
4-(6-Methoxynaphthalen-2-yl)-2-pyridin-3-yl-1,3-thiazole
CID 2347621
N-butyl-N-[3-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenoxy]propyl]butan-1-amine;hydrate;hydrochloride
CID 49860354
2-[6-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenoxy]-3-pyridinyl]-4-(4-fluorophenyl)-1,3-thiazole
CID 71560939
4-[4-(Cyclopropylmethoxy)phenyl]-2-(2-propyl-4-pyridyl)thiazole
CID 118709519
4-[4-(2-Methoxyethoxy)phenyl]-2-(2-propyl-4-pyridyl)thiazole
CID 118709520
3-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]pyridine
CID 727309
4-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]-2-propylpyridine
CID 8057213

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).