2-(2-propyl-4-pyridinyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole

C18H15F3N2S — CID 118709518

IUPAC2-(2-propyl-4-pyridinyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCCCc1cc(-c2nc(-c3ccccc3C(F)(F)F)cs2)ccn1
InChIInChI=1S/C18H15F3N2S/c1-2-5-13-10-12(8-9-22-13)17-23-16(11-24-17)14-6-3-4-7-15(14)18(19,20)21/h3-4,6-11H,2,5H2,1H3
InChIKeyZETUPRXVHLSBJL-UHFFFAOYSA-N
MW348.39 g/mol
LogP5.84
Rot. Bonds4

About 2-(2-propyl-4-pyridinyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole

2-(2-propyl-4-pyridinyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 118709518) has the molecular formula C18H15F3N2S and a molecular weight of 348.39 g/mol. Its IUPAC name is 2-(2-propyl-4-pyridinyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(2-propyl-4-pyridinyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID118709518
Molecular FormulaC18H15F3N2S
Molecular Weight348.39 g/mol
Exact Mass348.09
IUPAC Name2-(2-propyl-4-pyridinyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCCCc1cc(-c2nc(-c3ccccc3C(F)(F)F)cs2)ccn1
InChIInChI=1S/C18H15F3N2S/c1-2-5-13-10-12(8-9-22-13)17-23-16(11-24-17)14-6-3-4-7-15(14)18(19,20)21/h3-4,6-11H,2,5H2,1H3
InChIKeyZETUPRXVHLSBJL-UHFFFAOYSA-N
XLogP5.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.39
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propyl-4-pyridinyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 2-(2-propyl-4-pyridinyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole (CID 118709518) is 2-(2-propyl-4-pyridinyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-(2-propyl-4-pyridinyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 2-(2-propyl-4-pyridinyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole is CCCc1cc(-c2nc(-c3ccccc3C(F)(F)F)cs2)ccn1.
What is the InChIKey of 2-(2-propyl-4-pyridinyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is ZETUPRXVHLSBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2S/c1-2-5-13-10-12(8-9-22-13)17-23-16(11-24-17)14-6-3-4-7-15(14)18(19,20)21/h3-4,6-11H,2,5H2,1H3.
What are the key properties of 2-(2-propyl-4-pyridinyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole?
2-(2-propyl-4-pyridinyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 348.39 g/mol, XLogP of 5.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propyl-4-pyridinyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 118709518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).