(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-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

C56H54Cl4F3N15O3S3 — CID 159784571

About (2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-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-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-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 159784571) has the molecular formula C56H54Cl4F3N15O3S3 and a molecular weight of 1280.16 g/mol. Its IUPAC name is (2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-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-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-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: 159784571
• Molecular Formula: C56H54Cl4F3N15O3S3
• Molecular Weight: 1280.16 g/mol
• Exact Mass: 1277.24
• IUPAC Name: (2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-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(C(F)(F)F)cc2s1.C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1nc2ccc(Cl)cc2s1.Cc1ccc2nc(NC(=O)N3CCN(c4ncccc4Cl)C[C@H]3C)sc2c1
• InChI: InChI=1S/C19H17ClF3N5OS.C19H20ClN5OS.C18H17Cl2N5OS/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;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/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);2-6,9,11H,7-8,10H2,1H3,(H,22,23,26)/t11-;13-;11-/m111/s1
• InChIKey: NHUDVXNYXMEQCH-IZQRUIMOSA-N
• XLogP: 14.24
• TPSA: 184.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 6
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1280.16
LogP ≤ 5	14.24
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)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-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-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-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 159784571) is (2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-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-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-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-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-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(C(F)(F)F)cc2s1.C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1nc2ccc(Cl)cc2s1.Cc1ccc2nc(NC(=O)N3CCN(c4ncccc4Cl)C[C@H]3C)sc2c1.

What is the InChIKey of (2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-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 NHUDVXNYXMEQCH-IZQRUIMOSA-N. The full InChI is InChI=1S/C19H17ClF3N5OS.C19H20ClN5OS.C18H17Cl2N5OS/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;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/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);2-6,9,11H,7-8,10H2,1H3,(H,22,23,26)/t11-;13-;11-/m111/s1.

What are the key properties of (2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-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-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-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 1280.16 g/mol, XLogP of 14.24, 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)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-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 159784571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).