4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole

C23H23F3N2S — CID 154070918

IUPAC4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole
SMILESCC1(C)CCC(C)(C)c2cc(-c3csc(-c4cnccc4C(F)(F)F)n3)ccc21
InChIInChI=1S/C23H23F3N2S/c1-21(2)8-9-22(3,4)18-11-14(5-6-17(18)21)19-13-29-20(28-19)15-12-27-10-7-16(15)23(24,25)26/h5-7,10-13H,8-9H2,1-4H3
InChIKeyIRJDPFWHNCGWAV-UHFFFAOYSA-N
MW416.51 g/mol
LogP7.24
Rot. Bonds2

About 4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole

4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole (PubChem CID 154070918) has the molecular formula C23H23F3N2S and a molecular weight of 416.51 g/mol. Its IUPAC name is 4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole
PubChem CID154070918
Molecular FormulaC23H23F3N2S
Molecular Weight416.51 g/mol
Exact Mass416.15
IUPAC Name4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole
SMILESCC1(C)CCC(C)(C)c2cc(-c3csc(-c4cnccc4C(F)(F)F)n3)ccc21
InChIInChI=1S/C23H23F3N2S/c1-21(2)8-9-22(3,4)18-11-14(5-6-17(18)21)19-13-29-20(28-19)15-12-27-10-7-16(15)23(24,25)26/h5-7,10-13H,8-9H2,1-4H3
InChIKeyIRJDPFWHNCGWAV-UHFFFAOYSA-N
XLogP7.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.51
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole?
The IUPAC name of 4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole (CID 154070918) is 4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole.
What is the SMILES notation for 4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole?
The canonical SMILES for 4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole is CC1(C)CCC(C)(C)c2cc(-c3csc(-c4cnccc4C(F)(F)F)n3)ccc21.
What is the InChIKey of 4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole?
The InChIKey is IRJDPFWHNCGWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2S/c1-21(2)8-9-22(3,4)18-11-14(5-6-17(18)21)19-13-29-20(28-19)15-12-27-10-7-16(15)23(24,25)26/h5-7,10-13H,8-9H2,1-4H3.
What are the key properties of 4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole?
4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole has a molecular weight of 416.51 g/mol, XLogP of 7.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 154070918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).