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

C₆₄H₇₃ClF₃N₁₅O₃S₃ — CID 159660604

About (2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(6-propyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-2-methyl-N-[6-(2-methylpropyl)-1,3-benzothiazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide

(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(6-propyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-2-methyl-N-[6-(2-methylpropyl)-1,3-benzothiazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 159660604) has the molecular formula C₆₄H₇₃ClF₃N₁₅O₃S₃ and a molecular weight of 1289.04 g/mol. Its IUPAC name is (2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(6-propyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-2-methyl-N-[6-(2-methylpropyl)-1,3-benzothiazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: (2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(6-propyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-2-methyl-N-[6-(2-methylpropyl)-1,3-benzothiazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
• PubChem CID: 159660604
• Molecular Formula: C₆₄H₇₃ClF₃N₁₅O₃S₃
• Molecular Weight: 1289.04 g/mol
• Exact Mass: 1287.48
• IUPAC Name: (2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(6-propyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-2-methyl-N-[6-(2-methylpropyl)-1,3-benzothiazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
• SMILES: CC(C)Cc1ccc2nc(NC(=O)N3CCN(c4ncccc4C(F)(F)F)C[C@H]3C)sc2c1.CCCc1ccc2nc(NC(=O)N3CCN(c4ncccc4Cl)C[C@H]3C)sc2c1.Cc1ccc2nc(NC(=O)N3CCN(c4ncccc4C)C[C@H]3C)sc2c1
• InChI: InChI=1S/C23H26F3N5OS.C21H24ClN5OS.C20H23N5OS/c1-14(2)11-16-6-7-18-19(12-16)33-21(28-18)29-22(32)31-10-9-30(13-15(31)3)20-17(23(24,25)26)5-4-8-27-20;1-3-5-15-7-8-17-18(12-15)29-20(24-17)25-21(28)27-11-10-26(13-14(27)2)19-16(22)6-4-9-23-19;1-13-6-7-16-17(11-13)27-19(22-16)23-20(26)25-10-9-24(12-15(25)3)18-14(2)5-4-8-21-18/h4-8,12,14-15H,9-11,13H2,1-3H3,(H,28,29,32);4,6-9,12,14H,3,5,10-11,13H2,1-2H3,(H,24,25,28);4-8,11,15H,9-10,12H2,1-3H3,(H,22,23,26)/t15-;14-;15-/m111/s1
• InChIKey: MSTFATMUXYDZQW-ABFLBVAZSA-N
• XLogP: 14.74
• TPSA: 184.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1289.04
LogP ≤ 5	14.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

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

The IUPAC name of (2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(6-propyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-2-methyl-N-[6-(2-methylpropyl)-1,3-benzothiazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (CID 159660604) is (2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(6-propyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-2-methyl-N-[6-(2-methylpropyl)-1,3-benzothiazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.

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

The canonical SMILES for (2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(6-propyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-2-methyl-N-[6-(2-methylpropyl)-1,3-benzothiazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is CC(C)Cc1ccc2nc(NC(=O)N3CCN(c4ncccc4C(F)(F)F)C[C@H]3C)sc2c1.CCCc1ccc2nc(NC(=O)N3CCN(c4ncccc4Cl)C[C@H]3C)sc2c1.Cc1ccc2nc(NC(=O)N3CCN(c4ncccc4C)C[C@H]3C)sc2c1.

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

The InChIKey is MSTFATMUXYDZQW-ABFLBVAZSA-N. The full InChI is InChI=1S/C23H26F3N5OS.C21H24ClN5OS.C20H23N5OS/c1-14(2)11-16-6-7-18-19(12-16)33-21(28-18)29-22(32)31-10-9-30(13-15(31)3)20-17(23(24,25)26)5-4-8-27-20;1-3-5-15-7-8-17-18(12-15)29-20(24-17)25-21(28)27-11-10-26(13-14(27)2)19-16(22)6-4-9-23-19;1-13-6-7-16-17(11-13)27-19(22-16)23-20(26)25-10-9-24(12-15(25)3)18-14(2)5-4-8-21-18/h4-8,12,14-15H,9-11,13H2,1-3H3,(H,28,29,32);4,6-9,12,14H,3,5,10-11,13H2,1-2H3,(H,24,25,28);4-8,11,15H,9-10,12H2,1-3H3,(H,22,23,26)/t15-;14-;15-/m111/s1.

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

(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(6-propyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-2-methyl-N-[6-(2-methylpropyl)-1,3-benzothiazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 1289.04 g/mol, XLogP of 14.74, 10 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(6-propyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-2-methyl-N-[6-(2-methylpropyl)-1,3-benzothiazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 159660604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159660604 — identifiers, structure, computed properties (public domain)

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