(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)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide

C58H63Cl2N15O3S3 — CID 91016144

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)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(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)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide (PubChem CID 91016144) has the molecular formula C58H63Cl2N15O3S3 and a molecular weight of 1185.35 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)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(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)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide
• PubChem CID: 91016144
• Molecular Formula: C58H63Cl2N15O3S3
• Molecular Weight: 1185.35 g/mol
• Exact Mass: 1183.38
• 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)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide
• SMILES: 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/C20H23N5OS.2C19H20ClN5OS/c1-13-6-7-16-17(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/h4-8,11,15H,9-10,12H2,1-3H3,(H,22,23,26);2*3-7,10,13H,8-9,11H2,1-2H3,(H,22,23,26)/t15-;2*13-/m111/s1
• InChIKey: SWDWDQGFXIVUSB-XNBANXGMSA-N
• XLogP: 12.84
• TPSA: 184.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 6
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1185.35
LogP ≤ 5	12.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

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)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(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)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide (CID 91016144) 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)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(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)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(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)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide is 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)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide?

The InChIKey is SWDWDQGFXIVUSB-XNBANXGMSA-N. The full InChI is InChI=1S/C20H23N5OS.2C19H20ClN5OS/c1-13-6-7-16-17(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/h4-8,11,15H,9-10,12H2,1-3H3,(H,22,23,26);2*3-7,10,13H,8-9,11H2,1-2H3,(H,22,23,26)/t15-;2*13-/m111/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)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(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)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide has a molecular weight of 1185.35 g/mol, XLogP of 12.84, 6 rotatable bonds, 3 hydrogen bond donors, and 15 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)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 91016144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).