(2R)-N-(1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(6-bromo-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazine-1-carboxamide

C110H107BrCl7F3N30O6S6 — CID 158234080

About (2R)-N-(1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(6-bromo-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazine-1-carboxamide

(2R)-N-(1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(6-bromo-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazine-1-carboxamide (PubChem CID 158234080) has the molecular formula C110H107BrCl7F3N30O6S6 and a molecular weight of 2522.74 g/mol. Its IUPAC name is (2R)-N-(1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(6-bromo-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-(1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(6-bromo-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazine-1-carboxamide
• PubChem CID: 158234080
• Molecular Formula: C110H107BrCl7F3N30O6S6
• Molecular Weight: 2522.74 g/mol
• Exact Mass: 2516.43
• IUPAC Name: (2R)-N-(1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(6-bromo-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazine-1-carboxamide
• SMILES: C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1nc2ccc(Br)cc2s1.C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1nc2ccc(C(F)(F)F)cc2s1.C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1nc2ccc(Cl)cc2s1.C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1nc2ccccc2s1.Cc1ccc2nc(NC(=O)N3CCN(c4ncccc4Cl)CC3)sc2c1.Cc1ccc2nc(NC(=O)N3CCN(c4ncccc4Cl)C[C@H]3C)sc2c1
• InChI: InChI=1S/C19H17ClF3N5OS.C19H20ClN5OS.C18H17BrClN5OS.C18H17Cl2N5OS.2C18H18ClN5OS/c1-11-10-27(16-13(20)3-2-6-24-16)7-8-28(11)18(29)26-17-25-14-5-4-12(19(21,22)23)9-15(14)30-17;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;2*1-11-10-24(16-13(20)3-2-6-21-16)7-8-25(11)18(26)23-17-22-14-5-4-12(19)9-15(14)27-17;1-12-4-5-14-15(11-12)26-17(21-14)22-18(25)24-9-7-23(8-10-24)16-13(19)3-2-6-20-16;1-12-11-23(16-13(19)5-4-8-20-16)9-10-24(12)18(25)22-17-21-14-6-2-3-7-15(14)26-17/h2-6,9,11H,7-8,10H2,1H3,(H,25,26,29);3-7,10,13H,8-9,11H2,1-2H3,(H,22,23,26);2*2-6,9,11H,7-8,10H2,1H3,(H,22,23,26);2-6,11H,7-10H2,1H3,(H,21,22,25);2-8,12H,9-11H2,1H3,(H,21,22,25)/t11-;13-;2*11-;;12-/m1111.1/s1
• InChIKey: GESZOJYFEBWQDW-WGDVCFCZSA-N
• XLogP: 27.19
• TPSA: 368.16 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 12
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2522.74
LogP ≤ 5	27.19
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(6-bromo-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazine-1-carboxamide?

The IUPAC name of (2R)-N-(1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(6-bromo-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazine-1-carboxamide (CID 158234080) is (2R)-N-(1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(6-bromo-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazine-1-carboxamide.

What is the SMILES notation for (2R)-N-(1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(6-bromo-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazine-1-carboxamide?

The canonical SMILES for (2R)-N-(1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(6-bromo-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazine-1-carboxamide is C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1nc2ccc(Br)cc2s1.C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1nc2ccc(C(F)(F)F)cc2s1.C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1nc2ccc(Cl)cc2s1.C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1nc2ccccc2s1.Cc1ccc2nc(NC(=O)N3CCN(c4ncccc4Cl)CC3)sc2c1.Cc1ccc2nc(NC(=O)N3CCN(c4ncccc4Cl)C[C@H]3C)sc2c1.

What is the InChIKey of (2R)-N-(1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(6-bromo-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazine-1-carboxamide?

The InChIKey is GESZOJYFEBWQDW-WGDVCFCZSA-N. The full InChI is InChI=1S/C19H17ClF3N5OS.C19H20ClN5OS.C18H17BrClN5OS.C18H17Cl2N5OS.2C18H18ClN5OS/c1-11-10-27(16-13(20)3-2-6-24-16)7-8-28(11)18(29)26-17-25-14-5-4-12(19(21,22)23)9-15(14)30-17;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;2*1-11-10-24(16-13(20)3-2-6-21-16)7-8-25(11)18(26)23-17-22-14-5-4-12(19)9-15(14)27-17;1-12-4-5-14-15(11-12)26-17(21-14)22-18(25)24-9-7-23(8-10-24)16-13(19)3-2-6-20-16;1-12-11-23(16-13(19)5-4-8-20-16)9-10-24(12)18(25)22-17-21-14-6-2-3-7-15(14)26-17/h2-6,9,11H,7-8,10H2,1H3,(H,25,26,29);3-7,10,13H,8-9,11H2,1-2H3,(H,22,23,26);2*2-6,9,11H,7-8,10H2,1H3,(H,22,23,26);2-6,11H,7-10H2,1H3,(H,21,22,25);2-8,12H,9-11H2,1H3,(H,21,22,25)/t11-;13-;2*11-;;12-/m1111.1/s1.

What are the key properties of (2R)-N-(1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(6-bromo-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazine-1-carboxamide?

(2R)-N-(1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(6-bromo-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazine-1-carboxamide has a molecular weight of 2522.74 g/mol, XLogP of 27.19, 12 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-(1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(6-bromo-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 158234080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).