2-(4-tert-butylphenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole

C20H18F3NS — CID 2742341

IUPAC2-(4-tert-butylphenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1
InChIInChI=1S/C20H18F3NS/c1-19(2,3)15-8-6-14(7-9-15)18-24-17(12-25-18)13-4-10-16(11-5-13)20(21,22)23/h4-12H,1-3H3
InChIKeyOWRJGBJRPWYVDK-UHFFFAOYSA-N
MW361.43 g/mol
LogP6.79
Rot. Bonds2

About 2-(4-tert-butylphenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole

2-(4-tert-butylphenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 2742341) has the molecular formula C20H18F3NS and a molecular weight of 361.43 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID2742341
Molecular FormulaC20H18F3NS
Molecular Weight361.43 g/mol
Exact Mass361.11
IUPAC Name2-(4-tert-butylphenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1
InChIInChI=1S/C20H18F3NS/c1-19(2,3)15-8-6-14(7-9-15)18-24-17(12-25-18)13-4-10-16(11-5-13)20(21,22)23/h4-12H,1-3H3
InChIKeyOWRJGBJRPWYVDK-UHFFFAOYSA-N
XLogP6.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.43
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 2-(4-tert-butylphenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole (CID 2742341) is 2-(4-tert-butylphenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-(4-tert-butylphenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 2-(4-tert-butylphenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole is CC(C)(C)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is OWRJGBJRPWYVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3NS/c1-19(2,3)15-8-6-14(7-9-15)18-24-17(12-25-18)13-4-10-16(11-5-13)20(21,22)23/h4-12H,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
2-(4-tert-butylphenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 361.43 g/mol, XLogP of 6.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 2742341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).