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

C57H55Cl2F6N15O3S3 — CID 160740888

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

(2R)-N-(1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 160740888) has the molecular formula C57H55Cl2F6N15O3S3 and a molecular weight of 1279.26 g/mol. Its IUPAC name is (2R)-N-(1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(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-(1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
• PubChem CID: 160740888
• Molecular Formula: C57H55Cl2F6N15O3S3
• Molecular Weight: 1279.26 g/mol
• Exact Mass: 1277.31
• IUPAC Name: (2R)-N-(1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
• SMILES: C[C@@H]1CN(c2ncccc2C(F)(F)F)CCN1C(=O)Nc1nc2ccc(Cl)cc2s1.C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1nc2ccccc2s1.Cc1ccc2nc(NC(=O)N3CCN(c4ncccc4C(F)(F)F)C[C@H]3C)sc2c1
• InChI: InChI=1S/C20H20F3N5OS.C19H17ClF3N5OS.C18H18ClN5OS/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;1-12-11-23(16-13(19)5-4-8-20-16)9-10-24(12)18(25)22-17-21-14-6-2-3-7-15(14)26-17/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);2-8,12H,9-11H2,1H3,(H,21,22,25)/t13-;11-;12-/m111/s1
• InChIKey: RVOHZGDWIIEXAQ-GBDVVAPASA-N
• XLogP: 13.95
• TPSA: 184.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 6
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1279.26
LogP ≤ 5	13.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(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-(1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (CID 160740888) is (2R)-N-(1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(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-(1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(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-(1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is C[C@@H]1CN(c2ncccc2C(F)(F)F)CCN1C(=O)Nc1nc2ccc(Cl)cc2s1.C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1nc2ccccc2s1.Cc1ccc2nc(NC(=O)N3CCN(c4ncccc4C(F)(F)F)C[C@H]3C)sc2c1.

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

The InChIKey is RVOHZGDWIIEXAQ-GBDVVAPASA-N. The full InChI is InChI=1S/C20H20F3N5OS.C19H17ClF3N5OS.C18H18ClN5OS/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;1-12-11-23(16-13(19)5-4-8-20-16)9-10-24(12)18(25)22-17-21-14-6-2-3-7-15(14)26-17/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);2-8,12H,9-11H2,1H3,(H,21,22,25)/t13-;11-;12-/m111/s1.

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

(2R)-N-(1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 1279.26 g/mol, XLogP of 13.95, 6 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-(1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 160740888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).