4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-amine;methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[4-(4-bromophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[4-(4-bromophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-chloro-5-(trifluoromethyl)pyridine-3-carboxylate

C81H67Br4ClF12N12O8S4 — CID 167564633

About 4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-amine;methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[4-(4-bromophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[4-(4-bromophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-chloro-5-(trifluoromethyl)pyridine-3-carboxylate

4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-amine;methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[4-(4-bromophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[4-(4-bromophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-chloro-5-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 167564633) has the molecular formula C81H67Br4ClF12N12O8S4 and a molecular weight of 2047.82 g/mol. Its IUPAC name is 4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-amine;methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[4-(4-bromophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[4-(4-bromophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-chloro-5-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

• Compound Name: 4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-amine;methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[4-(4-bromophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[4-(4-bromophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-chloro-5-(trifluoromethyl)pyridine-3-carboxylate
• PubChem CID: 167564633
• Molecular Formula: C81H67Br4ClF12N12O8S4
• Molecular Weight: 2047.82 g/mol
• Exact Mass: 2042.03
• IUPAC Name: 4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-amine;methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[4-(4-bromophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[4-(4-bromophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-chloro-5-(trifluoromethyl)pyridine-3-carboxylate
• SMILES: COC(=O)c1cc(C(F)(F)F)cnc1Cl.COC(=O)c1cc(C(F)(F)F)cnc1Nc1nc(-c2ccc(Br)cc2)c(C(C)C)s1.COC(=O)c1cc(C(F)(F)F)cnc1Nc1nc(-c2ccc(Br)cc2)c(C2CC2)s1.COC(=O)c1cc(C(F)(F)F)cnc1Nc1nc(-c2ccc(Br)cc2)c(CC(C)C)s1.Nc1nc(-c2ccc(Br)cc2)c(C2CC2)s1
• InChI: InChI=1S/C21H19BrF3N3O2S.C20H15BrF3N3O2S.C20H17BrF3N3O2S.C12H11BrN2S.C8H5ClF3NO2/c1-11(2)8-16-17(12-4-6-14(22)7-5-12)27-20(31-16)28-18-15(19(29)30-3)9-13(10-26-18)21(23,24)25;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;1-10(2)16-15(11-4-6-13(21)7-5-11)26-19(30-16)27-17-14(18(28)29-3)8-12(9-25-17)20(22,23)24;13-9-5-3-7(4-6-9)10-11(8-1-2-8)16-12(14)15-10;1-15-7(14)5-2-4(8(10,11)12)3-13-6(5)9/h4-7,9-11H,8H2,1-3H3,(H,26,27,28);4-9,11H,2-3H2,1H3,(H,25,26,27);4-10H,1-3H3,(H,25,26,27);3-6,8H,1-2H2,(H2,14,15);2-3H,1H3
• InChIKey: FCRJYDAOGWRNQQ-UHFFFAOYSA-N
• XLogP: 26.32
• TPSA: 270.43 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 19
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2047.82
LogP ≤ 5	26.32
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-amine;methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[4-(4-bromophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[4-(4-bromophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-chloro-5-(trifluoromethyl)pyridine-3-carboxylate (CID 167564633) is 4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-amine;methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[4-(4-bromophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[4-(4-bromophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-chloro-5-(trifluoromethyl)pyridine-3-carboxylate.

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

The canonical SMILES for 4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-amine;methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[4-(4-bromophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[4-(4-bromophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-chloro-5-(trifluoromethyl)pyridine-3-carboxylate is COC(=O)c1cc(C(F)(F)F)cnc1Cl.COC(=O)c1cc(C(F)(F)F)cnc1Nc1nc(-c2ccc(Br)cc2)c(C(C)C)s1.COC(=O)c1cc(C(F)(F)F)cnc1Nc1nc(-c2ccc(Br)cc2)c(C2CC2)s1.COC(=O)c1cc(C(F)(F)F)cnc1Nc1nc(-c2ccc(Br)cc2)c(CC(C)C)s1.Nc1nc(-c2ccc(Br)cc2)c(C2CC2)s1.

What is the InChIKey of 4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-amine;methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[4-(4-bromophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[4-(4-bromophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-chloro-5-(trifluoromethyl)pyridine-3-carboxylate?

The InChIKey is FCRJYDAOGWRNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrF3N3O2S.C20H15BrF3N3O2S.C20H17BrF3N3O2S.C12H11BrN2S.C8H5ClF3NO2/c1-11(2)8-16-17(12-4-6-14(22)7-5-12)27-20(31-16)28-18-15(19(29)30-3)9-13(10-26-18)21(23,24)25;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;1-10(2)16-15(11-4-6-13(21)7-5-11)26-19(30-16)27-17-14(18(28)29-3)8-12(9-25-17)20(22,23)24;13-9-5-3-7(4-6-9)10-11(8-1-2-8)16-12(14)15-10;1-15-7(14)5-2-4(8(10,11)12)3-13-6(5)9/h4-7,9-11H,8H2,1-3H3,(H,26,27,28);4-9,11H,2-3H2,1H3,(H,25,26,27);4-10H,1-3H3,(H,25,26,27);3-6,8H,1-2H2,(H2,14,15);2-3H,1H3.

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

4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-amine;methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[4-(4-bromophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[4-(4-bromophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-chloro-5-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 2047.82 g/mol, XLogP of 26.32, 19 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-amine;methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[4-(4-bromophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[4-(4-bromophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-chloro-5-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 167564633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).