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

C18H14F3NOS — CID 44627530

IUPAC4-(4-methoxyphenyl)-2-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCOc1ccc(-c2nc(C)sc2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H14F3NOS/c1-11-22-16(12-5-9-15(23-2)10-6-12)17(24-11)13-3-7-14(8-4-13)18(19,20)21/h3-10H,1-2H3
InChIKeyXPOBEYZZBIDWJE-UHFFFAOYSA-N
MW349.38 g/mol
LogP5.81
Rot. Bonds3

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

4-(4-methoxyphenyl)-2-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 44627530) has the molecular formula C18H14F3NOS and a molecular weight of 349.38 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID44627530
Molecular FormulaC18H14F3NOS
Molecular Weight349.38 g/mol
Exact Mass349.07
IUPAC Name4-(4-methoxyphenyl)-2-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCOc1ccc(-c2nc(C)sc2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H14F3NOS/c1-11-22-16(12-5-9-15(23-2)10-6-12)17(24-11)13-3-7-14(8-4-13)18(19,20)21/h3-10H,1-2H3
InChIKeyXPOBEYZZBIDWJE-UHFFFAOYSA-N
XLogP5.81
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.38
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 4-(4-methoxyphenyl)-2-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-thiazole (CID 44627530) is 4-(4-methoxyphenyl)-2-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 4-(4-methoxyphenyl)-2-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-thiazole is COc1ccc(-c2nc(C)sc2-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is XPOBEYZZBIDWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NOS/c1-11-22-16(12-5-9-15(23-2)10-6-12)17(24-11)13-3-7-14(8-4-13)18(19,20)21/h3-10H,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-2-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
4-(4-methoxyphenyl)-2-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 349.38 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 44627530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).