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

C18H15F3N2S — CID 118709516

IUPAC2-(2-propyl-4-pyridinyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCCCc1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)ccn1
InChIInChI=1S/C18H15F3N2S/c1-2-3-15-10-13(8-9-22-15)17-23-16(11-24-17)12-4-6-14(7-5-12)18(19,20)21/h4-11H,2-3H2,1H3
InChIKeyUWEUJSPDJGJELO-UHFFFAOYSA-N
MW348.39 g/mol
LogP5.84
Rot. Bonds4

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

2-(2-propyl-4-pyridinyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 118709516) has the molecular formula C18H15F3N2S and a molecular weight of 348.39 g/mol. Its IUPAC name is 2-(2-propyl-4-pyridinyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(2-propyl-4-pyridinyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID118709516
Molecular FormulaC18H15F3N2S
Molecular Weight348.39 g/mol
Exact Mass348.09
IUPAC Name2-(2-propyl-4-pyridinyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCCCc1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)ccn1
InChIInChI=1S/C18H15F3N2S/c1-2-3-15-10-13(8-9-22-15)17-23-16(11-24-17)12-4-6-14(7-5-12)18(19,20)21/h4-11H,2-3H2,1H3
InChIKeyUWEUJSPDJGJELO-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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Related Compounds

Fatostatin
CID 1889993
4-Phenyl-2-(4-pyridyl)thiazole
CID 738483
3-Fluoro-5-(5-((2-methylthiazol-4-yl)ethynyl)pyridin-2-yl)benzonitrile
CID 16662948
3-(2-(2-Methyl-4-thiazolyl)ethynyl)pyridine
CID 9794218
N-(4-(2-(2-propylpyridin-4-yl)thiazol-4-yl)phenyl)methanesulfonamide
CID 25012898
3-(4-Methyl-1,3-thiazol-2-yl)pyridine
CID 1201554
4-Phenyl-2-(pyridin-3-yl)thiazole
CID 701015
3-[(2-Methyl-4-thiazolyl)ethynyl]-5-vinylpyridine
CID 11608287
2-Phenyl-5-(2-methylthiazol-4ylethynyl)pyridine
CID 44392990
2-Methyl-4-(3-pyridyl)thiazole
CID 600616
4-(4-Chlorophenyl)-2-pyridin-4-yl-1,3-thiazole
CID 2806768
2-(2-Methyl-thiazol-4-ylethynyl)-pyridine
CID 11063448

Frequently Asked Questions

What is the IUPAC name of 2-(2-propyl-4-pyridinyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 2-(2-propyl-4-pyridinyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole (CID 118709516) is 2-(2-propyl-4-pyridinyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-(2-propyl-4-pyridinyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 2-(2-propyl-4-pyridinyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole is CCCc1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)ccn1.
What is the InChIKey of 2-(2-propyl-4-pyridinyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is UWEUJSPDJGJELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2S/c1-2-3-15-10-13(8-9-22-15)17-23-16(11-24-17)12-4-6-14(7-5-12)18(19,20)21/h4-11H,2-3H2,1H3.
What are the key properties of 2-(2-propyl-4-pyridinyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
2-(2-propyl-4-pyridinyl)-4-[4-(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-[4-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 118709516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).