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

C108H103BrCl7F3N30O7S6 — CID 159620816

IUPAC(2R)-N-(1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(6-bromo-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;N-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazine-1-carboxamide
SMILESCCOc1ccc2nc(NC(=O)N3CCN(c4ncccc4Cl)CC3)sc2c1.C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1nc2ccc(Br)cc2s1.C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1nc2ccccc2s1.Cc1ccc2nc(NC(=O)N3CCN(c4ncccc4Cl)CC3)sc2c1.O=C(Nc1nc2ccc(C(F)(F)F)cc2s1)N1CCN(c2ncccc2Cl)CC1.O=C(Nc1nc2ccc(Cl)cc2s1)N1CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C19H20ClN5O2S.C18H17BrClN5OS.C18H15ClF3N5OS.2C18H18ClN5OS.C17H15Cl2N5OS/c1-2-27-13-5-6-15-16(12-13)28-18(22-15)23-19(26)25-10-8-24(9-11-25)17-14(20)4-3-7-21-17;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;19-12-2-1-5-23-15(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;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;1-12-11-23(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;18-11-3-4-13-14(10-11)26-16(21-13)22-17(25)24-8-6-23(7-9-24)15-12(19)2-1-5-20-15/h3-7,12H,2,8-11H2,1H3,(H,22,23,26);2-6,9,11H,7-8,10H2,1H3,(H,22,23,26);1-5,10H,6-9H2,(H,24,25,28);2-6,11H,7-10H2,1H3,(H,21,22,25);2-8,12H,9-11H2,1H3,(H,21,22,25);1-5,10H,6-9H2,(H,21,22,25)/t;11-;;;12-;/m.1..1./s1
InChIKeyMNWAGPMSYSKXKM-UIAINWBESA-N
MW2510.69 g/mol
LogP26.11
Rot. Bonds14

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

(2R)-N-(1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(6-bromo-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;N-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazine-1-carboxamide (PubChem CID 159620816) has the molecular formula C108H103BrCl7F3N30O7S6 and a molecular weight of 2510.69 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-bromo-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;N-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]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-bromo-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;N-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazine-1-carboxamide
PubChem CID159620816
Molecular FormulaC108H103BrCl7F3N30O7S6
Molecular Weight2510.69 g/mol
Exact Mass2504.39
IUPAC Name(2R)-N-(1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(6-bromo-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;N-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazine-1-carboxamide
SMILESCCOc1ccc2nc(NC(=O)N3CCN(c4ncccc4Cl)CC3)sc2c1.C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1nc2ccc(Br)cc2s1.C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1nc2ccccc2s1.Cc1ccc2nc(NC(=O)N3CCN(c4ncccc4Cl)CC3)sc2c1.O=C(Nc1nc2ccc(C(F)(F)F)cc2s1)N1CCN(c2ncccc2Cl)CC1.O=C(Nc1nc2ccc(Cl)cc2s1)N1CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C19H20ClN5O2S.C18H17BrClN5OS.C18H15ClF3N5OS.2C18H18ClN5OS.C17H15Cl2N5OS/c1-2-27-13-5-6-15-16(12-13)28-18(22-15)23-19(26)25-10-8-24(9-11-25)17-14(20)4-3-7-21-17;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;19-12-2-1-5-23-15(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;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;1-12-11-23(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;18-11-3-4-13-14(10-11)26-16(21-13)22-17(25)24-8-6-23(7-9-24)15-12(19)2-1-5-20-15/h3-7,12H,2,8-11H2,1H3,(H,22,23,26);2-6,9,11H,7-8,10H2,1H3,(H,22,23,26);1-5,10H,6-9H2,(H,24,25,28);2-6,11H,7-10H2,1H3,(H,21,22,25);2-8,12H,9-11H2,1H3,(H,21,22,25);1-5,10H,6-9H2,(H,21,22,25)/t;11-;;;12-;/m.1..1./s1
InChIKeyMNWAGPMSYSKXKM-UIAINWBESA-N
XLogP26.11
TPSA377.39 Ų
H-Bond Donors6
H-Bond Acceptors31
Rotatable Bonds14
Heavy Atoms162
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002510.69
LogP ≤ 526.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1031

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

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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-bromo-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;N-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]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-bromo-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;N-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazine-1-carboxamide (CID 159620816) is (2R)-N-(1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(6-bromo-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;N-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]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-bromo-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;N-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]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-bromo-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;N-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazine-1-carboxamide is CCOc1ccc2nc(NC(=O)N3CCN(c4ncccc4Cl)CC3)sc2c1.C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1nc2ccc(Br)cc2s1.C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1nc2ccccc2s1.Cc1ccc2nc(NC(=O)N3CCN(c4ncccc4Cl)CC3)sc2c1.O=C(Nc1nc2ccc(C(F)(F)F)cc2s1)N1CCN(c2ncccc2Cl)CC1.O=C(Nc1nc2ccc(Cl)cc2s1)N1CCN(c2ncccc2Cl)CC1.
What is the InChIKey of (2R)-N-(1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(6-bromo-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;N-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazine-1-carboxamide?
The InChIKey is MNWAGPMSYSKXKM-UIAINWBESA-N. The full InChI is InChI=1S/C19H20ClN5O2S.C18H17BrClN5OS.C18H15ClF3N5OS.2C18H18ClN5OS.C17H15Cl2N5OS/c1-2-27-13-5-6-15-16(12-13)28-18(22-15)23-19(26)25-10-8-24(9-11-25)17-14(20)4-3-7-21-17;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;19-12-2-1-5-23-15(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;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;1-12-11-23(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;18-11-3-4-13-14(10-11)26-16(21-13)22-17(25)24-8-6-23(7-9-24)15-12(19)2-1-5-20-15/h3-7,12H,2,8-11H2,1H3,(H,22,23,26);2-6,9,11H,7-8,10H2,1H3,(H,22,23,26);1-5,10H,6-9H2,(H,24,25,28);2-6,11H,7-10H2,1H3,(H,21,22,25);2-8,12H,9-11H2,1H3,(H,21,22,25);1-5,10H,6-9H2,(H,21,22,25)/t;11-;;;12-;/m.1..1./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-bromo-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;N-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazine-1-carboxamide?
(2R)-N-(1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(6-bromo-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;N-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazine-1-carboxamide has a molecular weight of 2510.69 g/mol, XLogP of 26.11, 14 rotatable bonds, 6 hydrogen bond donors, and 31 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-bromo-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;N-(6-chloro-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 159620816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).