methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;tributyl(1,3-thiazol-2-yl)stannane

C58H61BrF6N8O4S4Sn — CID 167593848

About methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;tributyl(1,3-thiazol-2-yl)stannane

methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;tributyl(1,3-thiazol-2-yl)stannane (PubChem CID 167593848) has the molecular formula C58H61BrF6N8O4S4Sn and a molecular weight of 1375.05 g/mol. Its IUPAC name is methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;tributyl(1,3-thiazol-2-yl)stannane.

Molecular Properties

• Compound Name: methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;tributyl(1,3-thiazol-2-yl)stannane
• PubChem CID: 167593848
• Molecular Formula: C58H61BrF6N8O4S4Sn
• Molecular Weight: 1375.05 g/mol
• Exact Mass: 1374.18
• IUPAC Name: methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;tributyl(1,3-thiazol-2-yl)stannane
• SMILES: CCCC[Sn](CCCC)(CCCC)c1nccs1.COC(=O)c1cc(C(F)(F)F)cnc1Nc1nc(-c2ccc(-c3nccs3)cc2)c(C2CC2)s1.COC(=O)c1cc(C(F)(F)F)cnc1Nc1nc(-c2ccc(Br)cc2)c(C2CC2)s1
• InChI: InChI=1S/C23H17F3N4O2S2.C20H15BrF3N3O2S.3C4H9.C3H2NS.Sn/c1-32-21(31)16-10-15(23(24,25)26)11-28-19(16)30-22-29-17(18(34-22)13-4-5-13)12-2-6-14(7-3-12)20-27-8-9-33-20;1-29-18(28)14-8-12(20(22,23)24)9-25-17(14)27-19-26-15(16(30-19)11-2-3-11)10-4-6-13(21)7-5-10;3*1-3-4-2;1-2-5-3-4-1;/h2-3,6-11,13H,4-5H2,1H3,(H,28,29,30);4-9,11H,2-3H2,1H3,(H,25,26,27);3*1,3-4H2,2H3;1-2H
• InChIKey: ITYPOULGHKKZIP-UHFFFAOYSA-N
• XLogP: 18.35
• TPSA: 154.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 21
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1375.05
LogP ≤ 5	18.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;tributyl(1,3-thiazol-2-yl)stannane?

The IUPAC name of methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;tributyl(1,3-thiazol-2-yl)stannane (CID 167593848) is methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;tributyl(1,3-thiazol-2-yl)stannane.

What is the SMILES notation for methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;tributyl(1,3-thiazol-2-yl)stannane?

The canonical SMILES for methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;tributyl(1,3-thiazol-2-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1nccs1.COC(=O)c1cc(C(F)(F)F)cnc1Nc1nc(-c2ccc(-c3nccs3)cc2)c(C2CC2)s1.COC(=O)c1cc(C(F)(F)F)cnc1Nc1nc(-c2ccc(Br)cc2)c(C2CC2)s1.

What is the InChIKey of methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;tributyl(1,3-thiazol-2-yl)stannane?

The InChIKey is ITYPOULGHKKZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O2S2.C20H15BrF3N3O2S.3C4H9.C3H2NS.Sn/c1-32-21(31)16-10-15(23(24,25)26)11-28-19(16)30-22-29-17(18(34-22)13-4-5-13)12-2-6-14(7-3-12)20-27-8-9-33-20;1-29-18(28)14-8-12(20(22,23)24)9-25-17(14)27-19-26-15(16(30-19)11-2-3-11)10-4-6-13(21)7-5-10;3*1-3-4-2;1-2-5-3-4-1;/h2-3,6-11,13H,4-5H2,1H3,(H,28,29,30);4-9,11H,2-3H2,1H3,(H,25,26,27);3*1,3-4H2,2H3;1-2H;.

What are the key properties of methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;tributyl(1,3-thiazol-2-yl)stannane?

methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;tributyl(1,3-thiazol-2-yl)stannane has a molecular weight of 1375.05 g/mol, XLogP of 18.35, 21 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;tributyl(1,3-thiazol-2-yl)stannane is sourced from PubChem (CID 167593848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).