(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(2S,5S)-2,5-dimethylpiperazin-1-yl]methanone;[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(2S,5S)-2,4,5-trimethylpiperazin-1-yl]methanone;(2S,5S)-2,5-dimethylpiperazine

C85H100Cl6N12O4S3 — CID 158894724

About (5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(2S,5S)-2,5-dimethylpiperazin-1-yl]methanone;[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(2S,5S)-2,4,5-trimethylpiperazin-1-yl]methanone;(2S,5S)-2,5-dimethylpiperazine

(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(2S,5S)-2,5-dimethylpiperazin-1-yl]methanone;[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(2S,5S)-2,4,5-trimethylpiperazin-1-yl]methanone;(2S,5S)-2,5-dimethylpiperazine (PubChem CID 158894724) has the molecular formula C85H100Cl6N12O4S3 and a molecular weight of 1662.73 g/mol. Its IUPAC name is (5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(2S,5S)-2,5-dimethylpiperazin-1-yl]methanone;[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(2S,5S)-2,4,5-trimethylpiperazin-1-yl]methanone;(2S,5S)-2,5-dimethylpiperazine.

Molecular Properties

• Compound Name: (5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(2S,5S)-2,5-dimethylpiperazin-1-yl]methanone;[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(2S,5S)-2,4,5-trimethylpiperazin-1-yl]methanone;(2S,5S)-2,5-dimethylpiperazine
• PubChem CID: 158894724
• Molecular Formula: C85H100Cl6N12O4S3
• Molecular Weight: 1662.73 g/mol
• Exact Mass: 1658.53
• IUPAC Name: (5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(2S,5S)-2,5-dimethylpiperazin-1-yl]methanone;[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(2S,5S)-2,4,5-trimethylpiperazin-1-yl]methanone;(2S,5S)-2,5-dimethylpiperazine
• SMILES: CC(C)C1=C(C(=O)N2C[C@H](C)N(C)C[C@@H]2C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21.CC(C)C1=C(C(=O)N2C[C@H](C)NC[C@@H]2C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21.CC(C)C1=C(C(=O)O)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21.C[C@H]1CN[C@@H](C)CN1
• InChI: InChI=1S/C29H34Cl2N4OS.C28H32Cl2N4OS.C22H20Cl2N2O2S.C6H14N2/c1-17(2)24-25(27(36)34-16-18(3)33(6)15-19(34)4)37-28-32-29(5,21-9-13-23(31)14-10-21)26(35(24)28)20-7-11-22(30)12-8-20;1-16(2)23-24(26(35)33-15-17(3)31-14-18(33)4)36-27-32-28(5,20-8-12-22(30)13-9-20)25(34(23)27)19-6-10-21(29)11-7-19;1-12(2)17-18(20(27)28)29-21-25-22(3,14-6-10-16(24)11-7-14)19(26(17)21)13-4-8-15(23)9-5-13;1-5-3-8-6(2)4-7-5/h7-14,17-19,26H,15-16H2,1-6H3;6-13,16-18,25,31H,14-15H2,1-5H3;4-12,19H,1-3H3,(H,27,28);5-8H,3-4H2,1-2H3/t18-,19-,26+,29-;17-,18-,25+,28-;19-,22+;5-,6-/m0010/s1
• InChIKey: JERPSEJFKISBJA-PGXFJZDLSA-N
• XLogP: 19.51
• TPSA: 164.05 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1662.73
LogP ≤ 5	19.51
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(2S,5S)-2,5-dimethylpiperazin-1-yl]methanone;[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(2S,5S)-2,4,5-trimethylpiperazin-1-yl]methanone;(2S,5S)-2,5-dimethylpiperazine?

The IUPAC name of (5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(2S,5S)-2,5-dimethylpiperazin-1-yl]methanone;[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(2S,5S)-2,4,5-trimethylpiperazin-1-yl]methanone;(2S,5S)-2,5-dimethylpiperazine (CID 158894724) is (5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(2S,5S)-2,5-dimethylpiperazin-1-yl]methanone;[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(2S,5S)-2,4,5-trimethylpiperazin-1-yl]methanone;(2S,5S)-2,5-dimethylpiperazine.

What is the SMILES notation for (5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(2S,5S)-2,5-dimethylpiperazin-1-yl]methanone;[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(2S,5S)-2,4,5-trimethylpiperazin-1-yl]methanone;(2S,5S)-2,5-dimethylpiperazine?

The canonical SMILES for (5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(2S,5S)-2,5-dimethylpiperazin-1-yl]methanone;[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(2S,5S)-2,4,5-trimethylpiperazin-1-yl]methanone;(2S,5S)-2,5-dimethylpiperazine is CC(C)C1=C(C(=O)N2C[C@H](C)N(C)C[C@@H]2C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21.CC(C)C1=C(C(=O)N2C[C@H](C)NC[C@@H]2C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21.CC(C)C1=C(C(=O)O)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21.C[C@H]1CN[C@@H](C)CN1.

What is the InChIKey of (5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(2S,5S)-2,5-dimethylpiperazin-1-yl]methanone;[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(2S,5S)-2,4,5-trimethylpiperazin-1-yl]methanone;(2S,5S)-2,5-dimethylpiperazine?

The InChIKey is JERPSEJFKISBJA-PGXFJZDLSA-N. The full InChI is InChI=1S/C29H34Cl2N4OS.C28H32Cl2N4OS.C22H20Cl2N2O2S.C6H14N2/c1-17(2)24-25(27(36)34-16-18(3)33(6)15-19(34)4)37-28-32-29(5,21-9-13-23(31)14-10-21)26(35(24)28)20-7-11-22(30)12-8-20;1-16(2)23-24(26(35)33-15-17(3)31-14-18(33)4)36-27-32-28(5,20-8-12-22(30)13-9-20)25(34(23)27)19-6-10-21(29)11-7-19;1-12(2)17-18(20(27)28)29-21-25-22(3,14-6-10-16(24)11-7-14)19(26(17)21)13-4-8-15(23)9-5-13;1-5-3-8-6(2)4-7-5/h7-14,17-19,26H,15-16H2,1-6H3;6-13,16-18,25,31H,14-15H2,1-5H3;4-12,19H,1-3H3,(H,27,28);5-8H,3-4H2,1-2H3/t18-,19-,26+,29-;17-,18-,25+,28-;19-,22+;5-,6-/m0010/s1.

What are the key properties of (5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(2S,5S)-2,5-dimethylpiperazin-1-yl]methanone;[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(2S,5S)-2,4,5-trimethylpiperazin-1-yl]methanone;(2S,5S)-2,5-dimethylpiperazine?

(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(2S,5S)-2,5-dimethylpiperazin-1-yl]methanone;[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(2S,5S)-2,4,5-trimethylpiperazin-1-yl]methanone;(2S,5S)-2,5-dimethylpiperazine has a molecular weight of 1662.73 g/mol, XLogP of 19.51, 12 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(2S,5S)-2,5-dimethylpiperazin-1-yl]methanone;[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(2S,5S)-2,4,5-trimethylpiperazin-1-yl]methanone;(2S,5S)-2,5-dimethylpiperazine is sourced from PubChem (CID 158894724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).