2-bromo-4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazole;methane;methyl 2-amino-5-bromopyridine-3-carboxylate;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 5-bromo-3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]thiophene-2-carboxylate;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 5-bromo-3-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]thiophene-2-carboxylate

C101H107Br6Cl10N13O10S7 — CID 167670493

About 2-bromo-4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazole;methane;methyl 2-amino-5-bromopyridine-3-carboxylate;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 5-bromo-3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]thiophene-2-carboxylate;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 5-bromo-3-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]thiophene-2-carboxylate

2-bromo-4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazole;methane;methyl 2-amino-5-bromopyridine-3-carboxylate;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 5-bromo-3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]thiophene-2-carboxylate;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 5-bromo-3-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]thiophene-2-carboxylate (PubChem CID 167670493) has the molecular formula C101H107Br6Cl10N13O10S7 and a molecular weight of 2721.47 g/mol. Its IUPAC name is 2-bromo-4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazole;methane;methyl 2-amino-5-bromopyridine-3-carboxylate;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 5-bromo-3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]thiophene-2-carboxylate;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 5-bromo-3-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]thiophene-2-carboxylate.

Molecular Properties

• Compound Name: 2-bromo-4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazole;methane;methyl 2-amino-5-bromopyridine-3-carboxylate;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 5-bromo-3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]thiophene-2-carboxylate;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 5-bromo-3-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]thiophene-2-carboxylate
• PubChem CID: 167670493
• Molecular Formula: C101H107Br6Cl10N13O10S7
• Molecular Weight: 2721.47 g/mol
• Exact Mass: 2708.83
• IUPAC Name: 2-bromo-4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazole;methane;methyl 2-amino-5-bromopyridine-3-carboxylate;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 5-bromo-3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]thiophene-2-carboxylate;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 5-bromo-3-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]thiophene-2-carboxylate
• SMILES: C.C.C.C.C.C.CC(C)c1sc(Br)nc1-c1ccc(Cl)c(Cl)c1.COC(=O)c1cc(Br)cnc1N.COC(=O)c1cc(Br)cnc1Nc1nc(-c2ccc(Cl)c(Cl)c2)c(C(C)C)s1.COC(=O)c1cc(Br)cnc1Nc1nc(-c2ccc(Cl)c(Cl)c2)c(CC(C)C)s1.COC(=O)c1sc(Br)cc1Nc1nc(-c2ccc(Cl)c(Cl)c2)c(C(C)C)s1.COC(=O)c1sc(Br)cc1Nc1nc(-c2ccc(Cl)c(Cl)c2)c(CC(C)C)s1
• InChI: InChI=1S/C20H18BrCl2N3O2S.C19H16BrCl2N3O2S.C19H17BrCl2N2O2S2.C18H15BrCl2N2O2S2.C12H10BrCl2NS.C7H7BrN2O2.6CH4/c1-10(2)6-16-17(11-4-5-14(22)15(23)7-11)25-20(29-16)26-18-13(19(27)28-3)8-12(21)9-24-18;1-9(2)16-15(10-4-5-13(21)14(22)6-10)24-19(28-16)25-17-12(18(26)27-3)7-11(20)8-23-17;1-9(2)6-14-16(10-4-5-11(21)12(22)7-10)24-19(27-14)23-13-8-15(20)28-17(13)18(25)26-3;1-8(2)15-14(9-4-5-10(20)11(21)6-9)23-18(27-15)22-12-7-13(19)26-16(12)17(24)25-3;1-6(2)11-10(16-12(13)17-11)7-3-4-8(14)9(15)5-7;1-12-7(11)5-2-4(8)3-10-6(5)9;;;;;;/h4-5,7-10H,6H2,1-3H3,(H,24,25,26);4-9H,1-3H3,(H,23,24,25);4-5,7-9H,6H2,1-3H3,(H,23,24);4-8H,1-3H3,(H,22,23);3-6H,1-2H3;2-3H,1H3,(H2,9,10);6*1H4
• InChIKey: UAOHLOGCYNFCAQ-UHFFFAOYSA-N
• XLogP: 40.23
• TPSA: 308.76 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 25
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2721.47
LogP ≤ 5	40.23
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazole;methane;methyl 2-amino-5-bromopyridine-3-carboxylate;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 5-bromo-3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]thiophene-2-carboxylate;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 5-bromo-3-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]thiophene-2-carboxylate?

The IUPAC name of 2-bromo-4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazole;methane;methyl 2-amino-5-bromopyridine-3-carboxylate;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 5-bromo-3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]thiophene-2-carboxylate;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 5-bromo-3-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]thiophene-2-carboxylate (CID 167670493) is 2-bromo-4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazole;methane;methyl 2-amino-5-bromopyridine-3-carboxylate;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 5-bromo-3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]thiophene-2-carboxylate;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 5-bromo-3-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]thiophene-2-carboxylate.

What is the SMILES notation for 2-bromo-4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazole;methane;methyl 2-amino-5-bromopyridine-3-carboxylate;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 5-bromo-3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]thiophene-2-carboxylate;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 5-bromo-3-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]thiophene-2-carboxylate?

The canonical SMILES for 2-bromo-4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazole;methane;methyl 2-amino-5-bromopyridine-3-carboxylate;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 5-bromo-3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]thiophene-2-carboxylate;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 5-bromo-3-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]thiophene-2-carboxylate is C.C.C.C.C.C.CC(C)c1sc(Br)nc1-c1ccc(Cl)c(Cl)c1.COC(=O)c1cc(Br)cnc1N.COC(=O)c1cc(Br)cnc1Nc1nc(-c2ccc(Cl)c(Cl)c2)c(C(C)C)s1.COC(=O)c1cc(Br)cnc1Nc1nc(-c2ccc(Cl)c(Cl)c2)c(CC(C)C)s1.COC(=O)c1sc(Br)cc1Nc1nc(-c2ccc(Cl)c(Cl)c2)c(C(C)C)s1.COC(=O)c1sc(Br)cc1Nc1nc(-c2ccc(Cl)c(Cl)c2)c(CC(C)C)s1.

What is the InChIKey of 2-bromo-4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazole;methane;methyl 2-amino-5-bromopyridine-3-carboxylate;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 5-bromo-3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]thiophene-2-carboxylate;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 5-bromo-3-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]thiophene-2-carboxylate?

The InChIKey is UAOHLOGCYNFCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrCl2N3O2S.C19H16BrCl2N3O2S.C19H17BrCl2N2O2S2.C18H15BrCl2N2O2S2.C12H10BrCl2NS.C7H7BrN2O2.6CH4/c1-10(2)6-16-17(11-4-5-14(22)15(23)7-11)25-20(29-16)26-18-13(19(27)28-3)8-12(21)9-24-18;1-9(2)16-15(10-4-5-13(21)14(22)6-10)24-19(28-16)25-17-12(18(26)27-3)7-11(20)8-23-17;1-9(2)6-14-16(10-4-5-11(21)12(22)7-10)24-19(27-14)23-13-8-15(20)28-17(13)18(25)26-3;1-8(2)15-14(9-4-5-10(20)11(21)6-9)23-18(27-15)22-12-7-13(19)26-16(12)17(24)25-3;1-6(2)11-10(16-12(13)17-11)7-3-4-8(14)9(15)5-7;1-12-7(11)5-2-4(8)3-10-6(5)9;;;;;;/h4-5,7-10H,6H2,1-3H3,(H,24,25,26);4-9H,1-3H3,(H,23,24,25);4-5,7-9H,6H2,1-3H3,(H,23,24);4-8H,1-3H3,(H,22,23);3-6H,1-2H3;2-3H,1H3,(H2,9,10);6*1H4.

What are the key properties of 2-bromo-4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazole;methane;methyl 2-amino-5-bromopyridine-3-carboxylate;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 5-bromo-3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]thiophene-2-carboxylate;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 5-bromo-3-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]thiophene-2-carboxylate?

2-bromo-4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazole;methane;methyl 2-amino-5-bromopyridine-3-carboxylate;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 5-bromo-3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]thiophene-2-carboxylate;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 5-bromo-3-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]thiophene-2-carboxylate has a molecular weight of 2721.47 g/mol, XLogP of 40.23, 25 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazole;methane;methyl 2-amino-5-bromopyridine-3-carboxylate;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 5-bromo-3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]thiophene-2-carboxylate;methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 5-bromo-3-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 167670493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).