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

C96H93Cl5F9N23O6S5 — CID 160592501

About N-(6-chloro-1,3-benzothiazol-2-yl)-4-(2-chlorophenyl)piperazine-1-carboxamide;(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;4-(2-chlorophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazine-1-carboxamide;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)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;4-(2-chlorophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazine-1-carboxamide;methane;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 160592501) has the molecular formula C96H93Cl5F9N23O6S5 and a molecular weight of 2173.54 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)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;4-(2-chlorophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazine-1-carboxamide;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)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;4-(2-chlorophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazine-1-carboxamide;methane;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
• PubChem CID: 160592501
• Molecular Formula: C96H93Cl5F9N23O6S5
• Molecular Weight: 2173.54 g/mol
• Exact Mass: 2169.46
• 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)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;4-(2-chlorophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazine-1-carboxamide;methane;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
• SMILES: C.CCOc1ccc2nc(NC(=O)N3CCN(c4ccccc4Cl)CC3)sc2c1.C[C@@H]1CN(c2ncccc2C(F)(F)F)CCN1C(=O)Nc1nc2ccc(Cl)cc2s1.Cc1ccc2nc(NC(=O)N3CCN(c4ncccc4C(F)(F)F)C[C@H]3C)sc2c1.O=C(Nc1nc2ccc(C(F)(F)F)cc2s1)N1CCN(c2ncccc2Cl)CC1.O=C(Nc1nc2ccc(Cl)cc2s1)N1CCN(c2ccccc2Cl)CC1
• InChI: InChI=1S/C20H21ClN4O2S.C20H20F3N5OS.C19H17ClF3N5OS.C18H16Cl2N4OS.C18H15ClF3N5OS.CH4/c1-2-27-14-7-8-16-18(13-14)28-19(22-16)23-20(26)25-11-9-24(10-12-25)17-6-4-3-5-15(17)21;1-12-5-6-15-16(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;1-11-10-27(16-13(19(21,22)23)3-2-6-24-16)7-8-28(11)18(29)26-17-25-14-5-4-12(20)9-15(14)30-17;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;19-12-2-1-5-23-15(12)26-6-8-27(9-7-26)17(28)25-16-24-13-4-3-11(18(20,21)22)10-14(13)29-16;/h3-8,13H,2,9-12H2,1H3,(H,22,23,26);3-7,10,13H,8-9,11H2,1-2H3,(H,25,26,29);2-6,9,11H,7-8,10H2,1H3,(H,25,26,29);1-6,11H,7-10H2,(H,21,22,25);1-5,10H,6-9H2,(H,24,25,28);1H4/t;13-;11-;;;/m.11.../s1
• InChIKey: RDFFICQFKQUAQX-ZWRBLFTCSA-N
• XLogP: 24.88
• TPSA: 290.25 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2173.54
LogP ≤ 5	24.88
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)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;4-(2-chlorophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazine-1-carboxamide;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)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;4-(2-chlorophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazine-1-carboxamide;methane;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (CID 160592501) is N-(6-chloro-1,3-benzothiazol-2-yl)-4-(2-chlorophenyl)piperazine-1-carboxamide;(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;4-(2-chlorophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazine-1-carboxamide;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)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;4-(2-chlorophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazine-1-carboxamide;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)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;4-(2-chlorophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazine-1-carboxamide;methane;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is C.CCOc1ccc2nc(NC(=O)N3CCN(c4ccccc4Cl)CC3)sc2c1.C[C@@H]1CN(c2ncccc2C(F)(F)F)CCN1C(=O)Nc1nc2ccc(Cl)cc2s1.Cc1ccc2nc(NC(=O)N3CCN(c4ncccc4C(F)(F)F)C[C@H]3C)sc2c1.O=C(Nc1nc2ccc(C(F)(F)F)cc2s1)N1CCN(c2ncccc2Cl)CC1.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)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;4-(2-chlorophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazine-1-carboxamide;methane;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?

The InChIKey is RDFFICQFKQUAQX-ZWRBLFTCSA-N. The full InChI is InChI=1S/C20H21ClN4O2S.C20H20F3N5OS.C19H17ClF3N5OS.C18H16Cl2N4OS.C18H15ClF3N5OS.CH4/c1-2-27-14-7-8-16-18(13-14)28-19(22-16)23-20(26)25-11-9-24(10-12-25)17-6-4-3-5-15(17)21;1-12-5-6-15-16(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;1-11-10-27(16-13(19(21,22)23)3-2-6-24-16)7-8-28(11)18(29)26-17-25-14-5-4-12(20)9-15(14)30-17;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;19-12-2-1-5-23-15(12)26-6-8-27(9-7-26)17(28)25-16-24-13-4-3-11(18(20,21)22)10-14(13)29-16;/h3-8,13H,2,9-12H2,1H3,(H,22,23,26);3-7,10,13H,8-9,11H2,1-2H3,(H,25,26,29);2-6,9,11H,7-8,10H2,1H3,(H,25,26,29);1-6,11H,7-10H2,(H,21,22,25);1-5,10H,6-9H2,(H,24,25,28);1H4/t;13-;11-;;;/m.11.../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)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;4-(2-chlorophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazine-1-carboxamide;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)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;4-(2-chlorophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazine-1-carboxamide;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 2173.54 g/mol, XLogP of 24.88, 12 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)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;4-(2-chlorophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazine-1-carboxamide;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 160592501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).