(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;formaldehyde;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide

C97H104Cl4FN25O6S5 — CID 162145046

About (2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;formaldehyde;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide

(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;formaldehyde;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide (PubChem CID 162145046) has the molecular formula C97H104Cl4FN25O6S5 and a molecular weight of 2037.21 g/mol. Its IUPAC name is (2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;formaldehyde;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;formaldehyde;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide
• PubChem CID: 162145046
• Molecular Formula: C97H104Cl4FN25O6S5
• Molecular Weight: 2037.21 g/mol
• Exact Mass: 2033.59
• IUPAC Name: (2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;formaldehyde;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide
• SMILES: C=O.C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1nc2ccc(F)cc2s1.Cc1cc2nc(NC(=O)N3CCN(c4ncccc4Cl)C[C@H]3C)sc2cc1C.Cc1ccc2nc(NC(=O)N3CCN(c4ncccc4C)C[C@H]3C)sc2c1.Cc1ccc2nc(NC(=O)N3CCN(c4ncccc4Cl)C[C@H]3C)sc2c1.Cc1cccnc1N1CCN(C(=O)Nc2nc3ccc(Cl)cc3s2)[C@H](C)C1
• InChI: InChI=1S/C20H22ClN5OS.C20H23N5OS.2C19H20ClN5OS.C18H17ClFN5OS.CH2O/c1-12-9-16-17(10-13(12)2)28-19(23-16)24-20(27)26-8-7-25(11-14(26)3)18-15(21)5-4-6-22-18;1-13-6-7-16-17(11-13)27-19(22-16)23-20(26)25-10-9-24(12-15(25)3)18-14(2)5-4-8-21-18;1-12-5-6-15-16(10-12)27-18(22-15)23-19(26)25-9-8-24(11-13(25)2)17-14(20)4-3-7-21-17;1-12-4-3-7-21-17(12)24-8-9-25(13(2)11-24)19(26)23-18-22-15-6-5-14(20)10-16(15)27-18;1-11-10-24(16-13(19)3-2-6-21-16)7-8-25(11)18(26)23-17-22-14-5-4-12(20)9-15(14)27-17;1-2/h4-6,9-10,14H,7-8,11H2,1-3H3,(H,23,24,27);4-8,11,15H,9-10,12H2,1-3H3,(H,22,23,26);2*3-7,10,13H,8-9,11H2,1-2H3,(H,22,23,26);2-6,9,11H,7-8,10H2,1H3,(H,22,23,26);1H2/t14-;15-;2*13-;11-;/m11111./s1
• InChIKey: ZKLBVERWKIHIHJ-LRIDBQGRSA-N
• XLogP: 21.59
• TPSA: 323.87 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 10
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2037.21
LogP ≤ 5	21.59
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;formaldehyde;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide?

The IUPAC name of (2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;formaldehyde;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide (CID 162145046) is (2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;formaldehyde;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide.

What is the SMILES notation for (2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;formaldehyde;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide?

The canonical SMILES for (2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;formaldehyde;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide is C=O.C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1nc2ccc(F)cc2s1.Cc1cc2nc(NC(=O)N3CCN(c4ncccc4Cl)C[C@H]3C)sc2cc1C.Cc1ccc2nc(NC(=O)N3CCN(c4ncccc4C)C[C@H]3C)sc2c1.Cc1ccc2nc(NC(=O)N3CCN(c4ncccc4Cl)C[C@H]3C)sc2c1.Cc1cccnc1N1CCN(C(=O)Nc2nc3ccc(Cl)cc3s2)[C@H](C)C1.

What is the InChIKey of (2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;formaldehyde;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide?

The InChIKey is ZKLBVERWKIHIHJ-LRIDBQGRSA-N. The full InChI is InChI=1S/C20H22ClN5OS.C20H23N5OS.2C19H20ClN5OS.C18H17ClFN5OS.CH2O/c1-12-9-16-17(10-13(12)2)28-19(23-16)24-20(27)26-8-7-25(11-14(26)3)18-15(21)5-4-6-22-18;1-13-6-7-16-17(11-13)27-19(22-16)23-20(26)25-10-9-24(12-15(25)3)18-14(2)5-4-8-21-18;1-12-5-6-15-16(10-12)27-18(22-15)23-19(26)25-9-8-24(11-13(25)2)17-14(20)4-3-7-21-17;1-12-4-3-7-21-17(12)24-8-9-25(13(2)11-24)19(26)23-18-22-15-6-5-14(20)10-16(15)27-18;1-11-10-24(16-13(19)3-2-6-21-16)7-8-25(11)18(26)23-17-22-14-5-4-12(20)9-15(14)27-17;1-2/h4-6,9-10,14H,7-8,11H2,1-3H3,(H,23,24,27);4-8,11,15H,9-10,12H2,1-3H3,(H,22,23,26);2*3-7,10,13H,8-9,11H2,1-2H3,(H,22,23,26);2-6,9,11H,7-8,10H2,1H3,(H,22,23,26);1H2/t14-;15-;2*13-;11-;/m11111./s1.

What are the key properties of (2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;formaldehyde;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide?

(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;formaldehyde;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide has a molecular weight of 2037.21 g/mol, XLogP of 21.59, 10 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;formaldehyde;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 162145046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).