(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;6-chloro-N-[1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]ethenyl]-1,3-benzothiazol-2-amine;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;N-[1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]ethenyl]-6-methyl-1,3-benzothiazol-2-amine;formaldehyde;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide

C95H94Cl5F6N25O4S5 — CID 160799920

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

(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;6-chloro-N-[1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]ethenyl]-1,3-benzothiazol-2-amine;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;N-[1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]ethenyl]-6-methyl-1,3-benzothiazol-2-amine;formaldehyde;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 160799920) has the molecular formula C95H94Cl5F6N25O4S5 and a molecular weight of 2101.56 g/mol. Its IUPAC name is (2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;6-chloro-N-[1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]ethenyl]-1,3-benzothiazol-2-amine;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;N-[1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]ethenyl]-6-methyl-1,3-benzothiazol-2-amine;formaldehyde;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;6-chloro-N-[1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]ethenyl]-1,3-benzothiazol-2-amine;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;N-[1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]ethenyl]-6-methyl-1,3-benzothiazol-2-amine;formaldehyde;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
• PubChem CID: 160799920
• Molecular Formula: C95H94Cl5F6N25O4S5
• Molecular Weight: 2101.56 g/mol
• Exact Mass: 2097.49
• IUPAC Name: (2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;6-chloro-N-[1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]ethenyl]-1,3-benzothiazol-2-amine;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;N-[1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]ethenyl]-6-methyl-1,3-benzothiazol-2-amine;formaldehyde;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
• SMILES: C=C(Nc1nc2ccc(C)cc2s1)N1CCN(c2ncccc2Cl)CC1.C=C(Nc1nc2ccc(Cl)cc2s1)N1CCN(c2ncccc2Cl)CC1.C=O.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.Cc1ccc2nc(NC(=O)N3CCN(c4ncccc4Cl)CC3)sc2c1
• InChI: InChI=1S/C20H20F3N5OS.C19H17ClF3N5OS.C19H20ClN5S.C18H17Cl2N5S.C18H18ClN5OS.CH2O/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;1-11-10-27(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;1-13-5-6-16-17(12-13)26-19(23-16)22-14(2)24-8-10-25(11-9-24)18-15(20)4-3-7-21-18;1-12(22-18-23-15-5-4-13(19)11-16(15)26-18)24-7-9-25(10-8-24)17-14(20)3-2-6-21-17;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;1-2/h3-7,10,13H,8-9,11H2,1-2H3,(H,25,26,29);2-6,9,11H,7-8,10H2,1H3,(H,25,26,29);3-7,12H,2,8-11H2,1H3,(H,22,23);2-6,11H,1,7-10H2,(H,22,23);2-6,11H,7-10H2,1H3,(H,21,22,25);1H2/t13-;11-;;;;/m11..../s1
• InChIKey: SCYAYWVVPQAXNM-WGYHIBLSSA-N
• XLogP: 22.75
• TPSA: 289.73 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 14
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2101.56
LogP ≤ 5	22.75
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

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

The IUPAC name of (2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;6-chloro-N-[1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]ethenyl]-1,3-benzothiazol-2-amine;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;N-[1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]ethenyl]-6-methyl-1,3-benzothiazol-2-amine;formaldehyde;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (CID 160799920) is (2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;6-chloro-N-[1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]ethenyl]-1,3-benzothiazol-2-amine;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;N-[1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]ethenyl]-6-methyl-1,3-benzothiazol-2-amine;formaldehyde;(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 (2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;6-chloro-N-[1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]ethenyl]-1,3-benzothiazol-2-amine;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;N-[1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]ethenyl]-6-methyl-1,3-benzothiazol-2-amine;formaldehyde;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?

The canonical SMILES for (2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;6-chloro-N-[1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]ethenyl]-1,3-benzothiazol-2-amine;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;N-[1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]ethenyl]-6-methyl-1,3-benzothiazol-2-amine;formaldehyde;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is C=C(Nc1nc2ccc(C)cc2s1)N1CCN(c2ncccc2Cl)CC1.C=C(Nc1nc2ccc(Cl)cc2s1)N1CCN(c2ncccc2Cl)CC1.C=O.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.Cc1ccc2nc(NC(=O)N3CCN(c4ncccc4Cl)CC3)sc2c1.

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

The InChIKey is SCYAYWVVPQAXNM-WGYHIBLSSA-N. The full InChI is InChI=1S/C20H20F3N5OS.C19H17ClF3N5OS.C19H20ClN5S.C18H17Cl2N5S.C18H18ClN5OS.CH2O/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;1-11-10-27(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;1-13-5-6-16-17(12-13)26-19(23-16)22-14(2)24-8-10-25(11-9-24)18-15(20)4-3-7-21-18;1-12(22-18-23-15-5-4-13(19)11-16(15)26-18)24-7-9-25(10-8-24)17-14(20)3-2-6-21-17;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;1-2/h3-7,10,13H,8-9,11H2,1-2H3,(H,25,26,29);2-6,9,11H,7-8,10H2,1H3,(H,25,26,29);3-7,12H,2,8-11H2,1H3,(H,22,23);2-6,11H,1,7-10H2,(H,22,23);2-6,11H,7-10H2,1H3,(H,21,22,25);1H2/t13-;11-;;;;/m11..../s1.

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

(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;6-chloro-N-[1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]ethenyl]-1,3-benzothiazol-2-amine;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;N-[1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]ethenyl]-6-methyl-1,3-benzothiazol-2-amine;formaldehyde;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 2101.56 g/mol, XLogP of 22.75, 14 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;6-chloro-N-[1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]ethenyl]-1,3-benzothiazol-2-amine;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;N-[1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]ethenyl]-6-methyl-1,3-benzothiazol-2-amine;formaldehyde;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 160799920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).