4-(5-bromo-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;4-(5-fluoro-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;4-(5-isocyano-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;bis(4-(6-methyl-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole);4-quinolin-3-yl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide

C136H93BrF25N19OS8 — CID 158461990

About 4-(5-bromo-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;4-(5-fluoro-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;4-(5-isocyano-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;bis(4-(6-methyl-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole);4-quinolin-3-yl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide

4-(5-bromo-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;4-(5-fluoro-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;4-(5-isocyano-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;bis(4-(6-methyl-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole);4-quinolin-3-yl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide (PubChem CID 158461990) has the molecular formula C136H93BrF25N19OS8 and a molecular weight of 2820.76 g/mol. Its IUPAC name is 4-(5-bromo-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;4-(5-fluoro-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;4-(5-isocyano-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;bis(4-(6-methyl-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole);4-quinolin-3-yl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-(5-bromo-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;4-(5-fluoro-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;4-(5-isocyano-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;bis(4-(6-methyl-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole);4-quinolin-3-yl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide
• PubChem CID: 158461990
• Molecular Formula: C136H93BrF25N19OS8
• Molecular Weight: 2820.76 g/mol
• Exact Mass: 2817.44
• IUPAC Name: 4-(5-bromo-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;4-(5-fluoro-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;4-(5-isocyano-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;bis(4-(6-methyl-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole);4-quinolin-3-yl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide
• SMILES: Cc1ccc(-c2csc(Cc3cccc(C(F)(F)F)c3)n2)cn1.Cc1ccc(-c2csc(Cc3cccc(C(F)(F)F)c3)n2)cn1.FC(F)(F)c1cccc(Cc2nc(-c3cnc4ccccc4c3)cs2)c1.FC(F)(F)c1cccc(Cc2nc(-c3cncc(Br)c3)cs2)c1.Fc1cncc(-c2csc(Cc3cccc(C(F)(F)F)c3)n2)c1.NC(=O)c1ccc(-c2csc(Cc3cccc(C(F)(F)F)c3)n2)cn1.Nc1ccc(-c2csc(Cc3cccc(C(F)(F)F)c3)n2)cn1.[C-]#[N+]c1cncc(-c2csc(Cc3cccc(C(F)(F)F)c3)n2)c1
• InChI: InChI=1S/C20H13F3N2S.C17H12F3N3OS.C17H10F3N3S.2C17H13F3N2S.C16H10BrF3N2S.C16H10F4N2S.C16H12F3N3S/c21-20(22,23)16-6-3-4-13(8-16)9-19-25-18(12-26-19)15-10-14-5-1-2-7-17(14)24-11-15;18-17(19,20)12-3-1-2-10(6-12)7-15-23-14(9-25-15)11-4-5-13(16(21)24)22-8-11;1-21-14-7-12(8-22-9-14)15-10-24-16(23-15)6-11-3-2-4-13(5-11)17(18,19)20;2*1-11-5-6-13(9-21-11)15-10-23-16(22-15)8-12-3-2-4-14(7-12)17(18,19)20;2*17-13-6-11(7-21-8-13)14-9-23-15(22-14)5-10-2-1-3-12(4-10)16(18,19)20;17-16(18,19)12-3-1-2-10(6-12)7-15-22-13(9-23-15)11-4-5-14(20)21-8-11/h1-8,10-12H,9H2;1-6,8-9H,7H2,(H2,21,24);2-5,7-10H,6H2;2*2-7,9-10H,8H2,1H3;2*1-4,6-9H,5H2;1-6,8-9H,7H2,(H2,20,21)
• InChIKey: HFHHFXVKUXQHPO-UHFFFAOYSA-N
• XLogP: 40.42
• TPSA: 279.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 25
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2820.76
LogP ≤ 5	40.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;4-(5-fluoro-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;4-(5-isocyano-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;bis(4-(6-methyl-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole);4-quinolin-3-yl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide?

The IUPAC name of 4-(5-bromo-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;4-(5-fluoro-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;4-(5-isocyano-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;bis(4-(6-methyl-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole);4-quinolin-3-yl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide (CID 158461990) is 4-(5-bromo-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;4-(5-fluoro-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;4-(5-isocyano-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;bis(4-(6-methyl-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole);4-quinolin-3-yl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide.

What is the SMILES notation for 4-(5-bromo-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;4-(5-fluoro-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;4-(5-isocyano-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;bis(4-(6-methyl-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole);4-quinolin-3-yl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide?

The canonical SMILES for 4-(5-bromo-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;4-(5-fluoro-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;4-(5-isocyano-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;bis(4-(6-methyl-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole);4-quinolin-3-yl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide is Cc1ccc(-c2csc(Cc3cccc(C(F)(F)F)c3)n2)cn1.Cc1ccc(-c2csc(Cc3cccc(C(F)(F)F)c3)n2)cn1.FC(F)(F)c1cccc(Cc2nc(-c3cnc4ccccc4c3)cs2)c1.FC(F)(F)c1cccc(Cc2nc(-c3cncc(Br)c3)cs2)c1.Fc1cncc(-c2csc(Cc3cccc(C(F)(F)F)c3)n2)c1.NC(=O)c1ccc(-c2csc(Cc3cccc(C(F)(F)F)c3)n2)cn1.Nc1ccc(-c2csc(Cc3cccc(C(F)(F)F)c3)n2)cn1.[C-]#[N+]c1cncc(-c2csc(Cc3cccc(C(F)(F)F)c3)n2)c1.

What is the InChIKey of 4-(5-bromo-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;4-(5-fluoro-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;4-(5-isocyano-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;bis(4-(6-methyl-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole);4-quinolin-3-yl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide?

The InChIKey is HFHHFXVKUXQHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N2S.C17H12F3N3OS.C17H10F3N3S.2C17H13F3N2S.C16H10BrF3N2S.C16H10F4N2S.C16H12F3N3S/c21-20(22,23)16-6-3-4-13(8-16)9-19-25-18(12-26-19)15-10-14-5-1-2-7-17(14)24-11-15;18-17(19,20)12-3-1-2-10(6-12)7-15-23-14(9-25-15)11-4-5-13(16(21)24)22-8-11;1-21-14-7-12(8-22-9-14)15-10-24-16(23-15)6-11-3-2-4-13(5-11)17(18,19)20;2*1-11-5-6-13(9-21-11)15-10-23-16(22-15)8-12-3-2-4-14(7-12)17(18,19)20;2*17-13-6-11(7-21-8-13)14-9-23-15(22-14)5-10-2-1-3-12(4-10)16(18,19)20;17-16(18,19)12-3-1-2-10(6-12)7-15-22-13(9-23-15)11-4-5-14(20)21-8-11/h1-8,10-12H,9H2;1-6,8-9H,7H2,(H2,21,24);2-5,7-10H,6H2;2*2-7,9-10H,8H2,1H3;2*1-4,6-9H,5H2;1-6,8-9H,7H2,(H2,20,21).

What are the key properties of 4-(5-bromo-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;4-(5-fluoro-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;4-(5-isocyano-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;bis(4-(6-methyl-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole);4-quinolin-3-yl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide?

4-(5-bromo-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;4-(5-fluoro-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;4-(5-isocyano-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;bis(4-(6-methyl-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole);4-quinolin-3-yl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide has a molecular weight of 2820.76 g/mol, XLogP of 40.42, 25 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-bromo-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;4-(5-fluoro-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;4-(5-isocyano-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;bis(4-(6-methyl-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole);4-quinolin-3-yl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 158461990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).