5-bromo-1,3-thiazole;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyrrole-1-carboxylate;tert-butyl 3-(1,3-thiazol-5-yl)-2,5-dihydropyrrole-1-carboxylate;3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone;5-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;hydrochloride

C70H71BBrCl3F6N12O11S4 — CID 158071808

About 5-bromo-1,3-thiazole;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyrrole-1-carboxylate;tert-butyl 3-(1,3-thiazol-5-yl)-2,5-dihydropyrrole-1-carboxylate;3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone;5-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;hydrochloride

5-bromo-1,3-thiazole;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyrrole-1-carboxylate;tert-butyl 3-(1,3-thiazol-5-yl)-2,5-dihydropyrrole-1-carboxylate;3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone;5-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;hydrochloride (PubChem CID 158071808) has the molecular formula C70H71BBrCl3F6N12O11S4 and a molecular weight of 1695.74 g/mol. Its IUPAC name is 5-bromo-1,3-thiazole;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyrrole-1-carboxylate;tert-butyl 3-(1,3-thiazol-5-yl)-2,5-dihydropyrrole-1-carboxylate;3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone;5-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;hydrochloride.

Molecular Properties

• Compound Name: 5-bromo-1,3-thiazole;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyrrole-1-carboxylate;tert-butyl 3-(1,3-thiazol-5-yl)-2,5-dihydropyrrole-1-carboxylate;3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone;5-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;hydrochloride
• PubChem CID: 158071808
• Molecular Formula: C70H71BBrCl3F6N12O11S4
• Molecular Weight: 1695.74 g/mol
• Exact Mass: 1692.25
• IUPAC Name: 5-bromo-1,3-thiazole;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyrrole-1-carboxylate;tert-butyl 3-(1,3-thiazol-5-yl)-2,5-dihydropyrrole-1-carboxylate;3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone;5-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;hydrochloride
• SMILES: Brc1cncs1.C1=C(c2cncs2)CNC1.CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)C1.CC(C)(C)OC(=O)N1CC=C(c2cncs2)C1.Cl.O=C(O)c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl.O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CC=C(c2cncs2)C1
• InChI: InChI=1S/C20H12ClF3N4O2S.C15H26BNO4.C13H6ClF3N2O3.C12H16N2O2S.C7H8N2S.C3H2BrNS.ClH/c21-17-16(19(29)27-3-1-11(7-27)15-6-25-10-31-15)26-18-14(20(22,23)24)5-13(8-28(17)18)12-2-4-30-9-12;1-13(2,3)19-12(18)17-9-8-11(10-17)16-20-14(4,5)15(6,7)21-16;14-10-9(12(20)21)18-11-8(13(15,16)17)3-7(4-19(10)11)6-1-2-22-5-6;1-12(2,3)16-11(15)14-5-4-9(7-14)10-6-13-8-17-10;1-2-8-3-6(1)7-4-9-5-10-7;4-3-1-5-2-6-3;/h1-2,4-6,8-10H,3,7H2;8H,9-10H2,1-7H3;1-5H,(H,20,21);4,6,8H,5,7H2,1-3H3;1,4-5,8H,2-3H2;1-2H;1H
• InChIKey: AJFUYOBYECCLPY-UHFFFAOYSA-N
• XLogP: 18.26
• TPSA: 259.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 8
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1695.74
LogP ≤ 5	18.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,3-thiazole;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyrrole-1-carboxylate;tert-butyl 3-(1,3-thiazol-5-yl)-2,5-dihydropyrrole-1-carboxylate;3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone;5-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;hydrochloride?

The IUPAC name of 5-bromo-1,3-thiazole;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyrrole-1-carboxylate;tert-butyl 3-(1,3-thiazol-5-yl)-2,5-dihydropyrrole-1-carboxylate;3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone;5-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;hydrochloride (CID 158071808) is 5-bromo-1,3-thiazole;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyrrole-1-carboxylate;tert-butyl 3-(1,3-thiazol-5-yl)-2,5-dihydropyrrole-1-carboxylate;3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone;5-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;hydrochloride.

What is the SMILES notation for 5-bromo-1,3-thiazole;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyrrole-1-carboxylate;tert-butyl 3-(1,3-thiazol-5-yl)-2,5-dihydropyrrole-1-carboxylate;3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone;5-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;hydrochloride?

The canonical SMILES for 5-bromo-1,3-thiazole;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyrrole-1-carboxylate;tert-butyl 3-(1,3-thiazol-5-yl)-2,5-dihydropyrrole-1-carboxylate;3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone;5-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;hydrochloride is Brc1cncs1.C1=C(c2cncs2)CNC1.CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)C1.CC(C)(C)OC(=O)N1CC=C(c2cncs2)C1.Cl.O=C(O)c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl.O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CC=C(c2cncs2)C1.

What is the InChIKey of 5-bromo-1,3-thiazole;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyrrole-1-carboxylate;tert-butyl 3-(1,3-thiazol-5-yl)-2,5-dihydropyrrole-1-carboxylate;3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone;5-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;hydrochloride?

The InChIKey is AJFUYOBYECCLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF3N4O2S.C15H26BNO4.C13H6ClF3N2O3.C12H16N2O2S.C7H8N2S.C3H2BrNS.ClH/c21-17-16(19(29)27-3-1-11(7-27)15-6-25-10-31-15)26-18-14(20(22,23)24)5-13(8-28(17)18)12-2-4-30-9-12;1-13(2,3)19-12(18)17-9-8-11(10-17)16-20-14(4,5)15(6,7)21-16;14-10-9(12(20)21)18-11-8(13(15,16)17)3-7(4-19(10)11)6-1-2-22-5-6;1-12(2,3)16-11(15)14-5-4-9(7-14)10-6-13-8-17-10;1-2-8-3-6(1)7-4-9-5-10-7;4-3-1-5-2-6-3;/h1-2,4-6,8-10H,3,7H2;8H,9-10H2,1-7H3;1-5H,(H,20,21);4,6,8H,5,7H2,1-3H3;1,4-5,8H,2-3H2;1-2H;1H.

What are the key properties of 5-bromo-1,3-thiazole;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyrrole-1-carboxylate;tert-butyl 3-(1,3-thiazol-5-yl)-2,5-dihydropyrrole-1-carboxylate;3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone;5-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;hydrochloride?

5-bromo-1,3-thiazole;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyrrole-1-carboxylate;tert-butyl 3-(1,3-thiazol-5-yl)-2,5-dihydropyrrole-1-carboxylate;3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone;5-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;hydrochloride has a molecular weight of 1695.74 g/mol, XLogP of 18.26, 8 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1,3-thiazole;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyrrole-1-carboxylate;tert-butyl 3-(1,3-thiazol-5-yl)-2,5-dihydropyrrole-1-carboxylate;3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone;5-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;hydrochloride is sourced from PubChem (CID 158071808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).