(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;formaldehyde

C57H56Cl4F3N15O4S3 — CID 160588557

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;formaldehyde

(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;formaldehyde (PubChem CID 160588557) has the molecular formula C57H56Cl4F3N15O4S3 and a molecular weight of 1310.18 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;formaldehyde.

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;formaldehyde
• PubChem CID: 160588557
• Molecular Formula: C57H56Cl4F3N15O4S3
• Molecular Weight: 1310.18 g/mol
• Exact Mass: 1307.25
• 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;formaldehyde
• SMILES: C=O.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.CH2O/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;1-2/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);1H2/t11-;13-;11-;/m111./s1
• InChIKey: RCSDSNOMJKDPRA-QGPDOAJDSA-N
• XLogP: 14.06
• TPSA: 201.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 6
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1310.18
LogP ≤ 5	14.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

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;formaldehyde?

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;formaldehyde (CID 160588557) 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;formaldehyde.

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;formaldehyde?

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;formaldehyde is C=O.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;formaldehyde?

The InChIKey is RCSDSNOMJKDPRA-QGPDOAJDSA-N. The full InChI is InChI=1S/C19H17ClF3N5OS.C19H20ClN5OS.C18H17Cl2N5OS.CH2O/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;1-2/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);1H2/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;formaldehyde?

(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;formaldehyde has a molecular weight of 1310.18 g/mol, XLogP of 14.06, 6 rotatable bonds, 3 hydrogen bond donors, and 16 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;formaldehyde is sourced from PubChem (CID 160588557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).