1-[(2R)-4-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-2-methylpiperazin-1-yl]ethanone;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;1-[(2R)-2-methylpiperazin-1-yl]ethanone

C58H66Cl4N8O5S2 — CID 162050819

About 1-[(2R)-4-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-2-methylpiperazin-1-yl]ethanone;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;1-[(2R)-2-methylpiperazin-1-yl]ethanone

1-[(2R)-4-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-2-methylpiperazin-1-yl]ethanone;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;1-[(2R)-2-methylpiperazin-1-yl]ethanone (PubChem CID 162050819) has the molecular formula C58H66Cl4N8O5S2 and a molecular weight of 1161.16 g/mol. Its IUPAC name is 1-[(2R)-4-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-2-methylpiperazin-1-yl]ethanone;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;1-[(2R)-2-methylpiperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[(2R)-4-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-2-methylpiperazin-1-yl]ethanone;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;1-[(2R)-2-methylpiperazin-1-yl]ethanone
• PubChem CID: 162050819
• Molecular Formula: C58H66Cl4N8O5S2
• Molecular Weight: 1161.16 g/mol
• Exact Mass: 1158.34
• IUPAC Name: 1-[(2R)-4-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-2-methylpiperazin-1-yl]ethanone;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;1-[(2R)-2-methylpiperazin-1-yl]ethanone
• SMILES: CC(=O)N1CCN(C(=O)C2=C(C(C)C)N3C(=N[C@@](C)(c4ccc(Cl)cc4)[C@H]3c3ccc(Cl)cc3)S2)C[C@H]1C.CC(=O)N1CCNC[C@H]1C.CC(C)C1=C(C(=O)O)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21
• InChI: InChI=1S/C29H32Cl2N4O2S.C22H20Cl2N2O2S.C7H14N2O/c1-17(2)24-25(27(37)33-14-15-34(19(4)36)18(3)16-33)38-28-32-29(5,21-8-12-23(31)13-9-21)26(35(24)28)20-6-10-22(30)11-7-20;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;1-6-5-8-3-4-9(6)7(2)10/h6-13,17-18,26H,14-16H2,1-5H3;4-12,19H,1-3H3,(H,27,28);6,8H,3-5H2,1-2H3/t18-,26-,29+;19-,22+;6-/m111/s1
• InChIKey: YYNHEVAEUHTWHY-KUXFXXPVSA-N
• XLogP: 12.46
• TPSA: 141.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1161.16
LogP ≤ 5	12.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 1-[(2R)-4-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-2-methylpiperazin-1-yl]ethanone;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;1-[(2R)-2-methylpiperazin-1-yl]ethanone (CID 162050819) is 1-[(2R)-4-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-2-methylpiperazin-1-yl]ethanone;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;1-[(2R)-2-methylpiperazin-1-yl]ethanone.

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

The canonical SMILES for 1-[(2R)-4-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-2-methylpiperazin-1-yl]ethanone;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;1-[(2R)-2-methylpiperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)C2=C(C(C)C)N3C(=N[C@@](C)(c4ccc(Cl)cc4)[C@H]3c3ccc(Cl)cc3)S2)C[C@H]1C.CC(=O)N1CCNC[C@H]1C.CC(C)C1=C(C(=O)O)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21.

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

The InChIKey is YYNHEVAEUHTWHY-KUXFXXPVSA-N. The full InChI is InChI=1S/C29H32Cl2N4O2S.C22H20Cl2N2O2S.C7H14N2O/c1-17(2)24-25(27(37)33-14-15-34(19(4)36)18(3)16-33)38-28-32-29(5,21-8-12-23(31)13-9-21)26(35(24)28)20-6-10-22(30)11-7-20;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;1-6-5-8-3-4-9(6)7(2)10/h6-13,17-18,26H,14-16H2,1-5H3;4-12,19H,1-3H3,(H,27,28);6,8H,3-5H2,1-2H3/t18-,26-,29+;19-,22+;6-/m111/s1.

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

1-[(2R)-4-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-2-methylpiperazin-1-yl]ethanone;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;1-[(2R)-2-methylpiperazin-1-yl]ethanone has a molecular weight of 1161.16 g/mol, XLogP of 12.46, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-4-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-2-methylpiperazin-1-yl]ethanone;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;1-[(2R)-2-methylpiperazin-1-yl]ethanone is sourced from PubChem (CID 162050819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).