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

C95H96Cl6F3N23O6S5 — CID 157438676

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

N-(6-chloro-1,3-benzothiazol-2-yl)-4-(2-chlorophenyl)piperazine-1-carboxamide;(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;4-(2-chlorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;formaldehyde;methane;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 157438676) has the molecular formula C95H96Cl6F3N23O6S5 and a molecular weight of 2086.01 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-4-(2-chlorophenyl)piperazine-1-carboxamide;(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;4-(2-chlorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;formaldehyde;methane;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: N-(6-chloro-1,3-benzothiazol-2-yl)-4-(2-chlorophenyl)piperazine-1-carboxamide;(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;4-(2-chlorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;formaldehyde;methane;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
• PubChem CID: 157438676
• Molecular Formula: C95H96Cl6F3N23O6S5
• Molecular Weight: 2086.01 g/mol
• Exact Mass: 2081.46
• IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-4-(2-chlorophenyl)piperazine-1-carboxamide;(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;4-(2-chlorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;formaldehyde;methane;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
• SMILES: C.C=O.C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1nc2ccc(Cl)cc2s1.Cc1ccc2nc(NC(=O)N3CCN(c4ccccc4Cl)CC3)sc2c1.Cc1ccc2nc(NC(=O)N3CCN(c4ncccc4C(F)(F)F)C[C@H]3C)sc2c1.Cc1ccc2nc(NC(=O)N3CCN(c4ncccc4Cl)CC3)sc2c1.O=C(Nc1nc2ccc(Cl)cc2s1)N1CCN(c2ccccc2Cl)CC1
• InChI: InChI=1S/C20H20F3N5OS.C19H19ClN4OS.C18H17Cl2N5OS.C18H16Cl2N4OS.C18H18ClN5OS.CH2O.CH4/c1-12-5-6-15-16(10-12)30-18(25-15)26-19(29)28-9-8-27(11-13(28)2)17-14(20(21,22)23)4-3-7-24-17;1-13-6-7-15-17(12-13)26-18(21-15)22-19(25)24-10-8-23(9-11-24)16-5-3-2-4-14(16)20;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;19-12-5-6-14-16(11-12)26-17(21-14)22-18(25)24-9-7-23(8-10-24)15-4-2-1-3-13(15)20;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;1-2;/h3-7,10,13H,8-9,11H2,1-2H3,(H,25,26,29);2-7,12H,8-11H2,1H3,(H,21,22,25);2-6,9,11H,7-8,10H2,1H3,(H,22,23,26);1-6,11H,7-10H2,(H,21,22,25);2-6,11H,7-10H2,1H3,(H,21,22,25);1H2;1H4/t13-;;11-;;;;/m1.1..../s1
• InChIKey: BRKFKGYPANDUPK-KSSXDOIHSA-N
• XLogP: 23.53
• TPSA: 298.09 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 10
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2086.01
LogP ≤ 5	23.53
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

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

The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-4-(2-chlorophenyl)piperazine-1-carboxamide;(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;4-(2-chlorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;formaldehyde;methane;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (CID 157438676) is N-(6-chloro-1,3-benzothiazol-2-yl)-4-(2-chlorophenyl)piperazine-1-carboxamide;(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;4-(2-chlorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;formaldehyde;methane;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.

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

The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-4-(2-chlorophenyl)piperazine-1-carboxamide;(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;4-(2-chlorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;formaldehyde;methane;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is C.C=O.C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1nc2ccc(Cl)cc2s1.Cc1ccc2nc(NC(=O)N3CCN(c4ccccc4Cl)CC3)sc2c1.Cc1ccc2nc(NC(=O)N3CCN(c4ncccc4C(F)(F)F)C[C@H]3C)sc2c1.Cc1ccc2nc(NC(=O)N3CCN(c4ncccc4Cl)CC3)sc2c1.O=C(Nc1nc2ccc(Cl)cc2s1)N1CCN(c2ccccc2Cl)CC1.

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

The InChIKey is BRKFKGYPANDUPK-KSSXDOIHSA-N. The full InChI is InChI=1S/C20H20F3N5OS.C19H19ClN4OS.C18H17Cl2N5OS.C18H16Cl2N4OS.C18H18ClN5OS.CH2O.CH4/c1-12-5-6-15-16(10-12)30-18(25-15)26-19(29)28-9-8-27(11-13(28)2)17-14(20(21,22)23)4-3-7-24-17;1-13-6-7-15-17(12-13)26-18(21-15)22-19(25)24-10-8-23(9-11-24)16-5-3-2-4-14(16)20;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;19-12-5-6-14-16(11-12)26-17(21-14)22-18(25)24-9-7-23(8-10-24)15-4-2-1-3-13(15)20;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;1-2;/h3-7,10,13H,8-9,11H2,1-2H3,(H,25,26,29);2-7,12H,8-11H2,1H3,(H,21,22,25);2-6,9,11H,7-8,10H2,1H3,(H,22,23,26);1-6,11H,7-10H2,(H,21,22,25);2-6,11H,7-10H2,1H3,(H,21,22,25);1H2;1H4/t13-;;11-;;;;/m1.1..../s1.

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

N-(6-chloro-1,3-benzothiazol-2-yl)-4-(2-chlorophenyl)piperazine-1-carboxamide;(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;4-(2-chlorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;formaldehyde;methane;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 2086.01 g/mol, XLogP of 23.53, 10 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-chloro-1,3-benzothiazol-2-yl)-4-(2-chlorophenyl)piperazine-1-carboxamide;(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;4-(2-chlorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;formaldehyde;methane;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 157438676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).