2-(4-methoxyphenyl)-5-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole

C23H16F3NOS — CID 53243228

IUPAC2-(4-methoxyphenyl)-5-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCOc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)c(-c3ccccc3)s2)cc1
InChIInChI=1S/C23H16F3NOS/c1-28-19-13-9-17(10-14-19)22-27-20(21(29-22)16-5-3-2-4-6-16)15-7-11-18(12-8-15)23(24,25)26/h2-14H,1H3
InChIKeyLXEWAZQVTUWSOB-UHFFFAOYSA-N
MW411.45 g/mol
LogP7.17
Rot. Bonds4

About 2-(4-methoxyphenyl)-5-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole

2-(4-methoxyphenyl)-5-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 53243228) has the molecular formula C23H16F3NOS and a molecular weight of 411.45 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID53243228
Molecular FormulaC23H16F3NOS
Molecular Weight411.45 g/mol
Exact Mass411.09
IUPAC Name2-(4-methoxyphenyl)-5-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCOc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)c(-c3ccccc3)s2)cc1
InChIInChI=1S/C23H16F3NOS/c1-28-19-13-9-17(10-14-19)22-27-20(21(29-22)16-5-3-2-4-6-16)15-7-11-18(12-8-15)23(24,25)26/h2-14H,1H3
InChIKeyLXEWAZQVTUWSOB-UHFFFAOYSA-N
XLogP7.17
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.45
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Itazigrel
CID 51087
2-(4-Methoxyphenyl)-5-phenylthiazol-4-ol
CID 14425906
2-Aminomethyl-4,5-bis(4-methoxyphenyl)thiazole
CID 9973662
1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanamine
CID 9998279
4,5-bis(4-methoxyphenyl)-2-(N,N-dimethylcarbamoyl)thiazole
CID 10021953
ethyl (E)-3-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enoate
CID 10046226
5-Fluoro-2-(3-fluoro-4-methoxyphenyl)-1,3-benzothiazole
CID 11514632
5-Fluoro-2-(4-methoxyphenyl)-1,3-benzothiazole
CID 11521752
4,5-Bis(4-methoxyphenyl)-2-(1-methyl-1,2,5,6-tetrahydro-4-pyridyl)thiazole
CID 11741253
(E)-3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]prop-2-enoic acid
CID 22728016
4-(4-Fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(4-methoxyphenyl)thiazole
CID 22911832
4-[4-(3-Fluoro-4-methoxy-phenyl)-2-methyl-thiazol-5-yl]-benzenesulfonamide
CID 44271374

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 2-(4-methoxyphenyl)-5-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole (CID 53243228) is 2-(4-methoxyphenyl)-5-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 2-(4-methoxyphenyl)-5-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole is COc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)c(-c3ccccc3)s2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is LXEWAZQVTUWSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3NOS/c1-28-19-13-9-17(10-14-19)22-27-20(21(29-22)16-5-3-2-4-6-16)15-7-11-18(12-8-15)23(24,25)26/h2-14H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-5-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
2-(4-methoxyphenyl)-5-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 411.45 g/mol, XLogP of 7.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 53243228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).