2-bromo-5-cyclopropyl-4-(4-thiophen-2-ylphenyl)-1,3-thiazole;methyl 2-amino-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-(4-thiophen-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate

C48H37BrF6N6O4S4 — CID 167569327

About 2-bromo-5-cyclopropyl-4-(4-thiophen-2-ylphenyl)-1,3-thiazole;methyl 2-amino-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-(4-thiophen-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate

2-bromo-5-cyclopropyl-4-(4-thiophen-2-ylphenyl)-1,3-thiazole;methyl 2-amino-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-(4-thiophen-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 167569327) has the molecular formula C48H37BrF6N6O4S4 and a molecular weight of 1084.02 g/mol. Its IUPAC name is 2-bromo-5-cyclopropyl-4-(4-thiophen-2-ylphenyl)-1,3-thiazole;methyl 2-amino-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-(4-thiophen-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

• Compound Name: 2-bromo-5-cyclopropyl-4-(4-thiophen-2-ylphenyl)-1,3-thiazole;methyl 2-amino-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-(4-thiophen-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate
• PubChem CID: 167569327
• Molecular Formula: C48H37BrF6N6O4S4
• Molecular Weight: 1084.02 g/mol
• Exact Mass: 1082.08
• IUPAC Name: 2-bromo-5-cyclopropyl-4-(4-thiophen-2-ylphenyl)-1,3-thiazole;methyl 2-amino-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-(4-thiophen-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate
• SMILES: Brc1nc(-c2ccc(-c3cccs3)cc2)c(C2CC2)s1.COC(=O)c1cc(C(F)(F)F)cnc1N.COC(=O)c1cc(C(F)(F)F)cnc1Nc1nc(-c2ccc(-c3cccs3)cc2)c(C2CC2)s1
• InChI: InChI=1S/C24H18F3N3O2S2.C16H12BrNS2.C8H7F3N2O2/c1-32-22(31)17-11-16(24(25,26)27)12-28-21(17)30-23-29-19(20(34-23)15-8-9-15)14-6-4-13(5-7-14)18-3-2-10-33-18;17-16-18-14(15(20-16)12-7-8-12)11-5-3-10(4-6-11)13-2-1-9-19-13;1-15-7(14)5-2-4(8(9,10)11)3-13-6(5)12/h2-7,10-12,15H,8-9H2,1H3,(H,28,29,30);1-6,9,12H,7-8H2;2-3H,1H3,(H2,12,13)
• InChIKey: FRSSHVGQULZYNR-UHFFFAOYSA-N
• XLogP: 15.01
• TPSA: 142.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1084.02
LogP ≤ 5	15.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-cyclopropyl-4-(4-thiophen-2-ylphenyl)-1,3-thiazole;methyl 2-amino-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-(4-thiophen-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate?

The IUPAC name of 2-bromo-5-cyclopropyl-4-(4-thiophen-2-ylphenyl)-1,3-thiazole;methyl 2-amino-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-(4-thiophen-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate (CID 167569327) is 2-bromo-5-cyclopropyl-4-(4-thiophen-2-ylphenyl)-1,3-thiazole;methyl 2-amino-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-(4-thiophen-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate.

What is the SMILES notation for 2-bromo-5-cyclopropyl-4-(4-thiophen-2-ylphenyl)-1,3-thiazole;methyl 2-amino-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-(4-thiophen-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate?

The canonical SMILES for 2-bromo-5-cyclopropyl-4-(4-thiophen-2-ylphenyl)-1,3-thiazole;methyl 2-amino-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-(4-thiophen-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate is Brc1nc(-c2ccc(-c3cccs3)cc2)c(C2CC2)s1.COC(=O)c1cc(C(F)(F)F)cnc1N.COC(=O)c1cc(C(F)(F)F)cnc1Nc1nc(-c2ccc(-c3cccs3)cc2)c(C2CC2)s1.

What is the InChIKey of 2-bromo-5-cyclopropyl-4-(4-thiophen-2-ylphenyl)-1,3-thiazole;methyl 2-amino-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-(4-thiophen-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate?

The InChIKey is FRSSHVGQULZYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O2S2.C16H12BrNS2.C8H7F3N2O2/c1-32-22(31)17-11-16(24(25,26)27)12-28-21(17)30-23-29-19(20(34-23)15-8-9-15)14-6-4-13(5-7-14)18-3-2-10-33-18;17-16-18-14(15(20-16)12-7-8-12)11-5-3-10(4-6-11)13-2-1-9-19-13;1-15-7(14)5-2-4(8(9,10)11)3-13-6(5)12/h2-7,10-12,15H,8-9H2,1H3,(H,28,29,30);1-6,9,12H,7-8H2;2-3H,1H3,(H2,12,13).

What are the key properties of 2-bromo-5-cyclopropyl-4-(4-thiophen-2-ylphenyl)-1,3-thiazole;methyl 2-amino-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-(4-thiophen-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate?

2-bromo-5-cyclopropyl-4-(4-thiophen-2-ylphenyl)-1,3-thiazole;methyl 2-amino-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-(4-thiophen-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 1084.02 g/mol, XLogP of 15.01, 10 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-5-cyclopropyl-4-(4-thiophen-2-ylphenyl)-1,3-thiazole;methyl 2-amino-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-(4-thiophen-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 167569327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).