2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

C99H118N24O14S4 — CID 158249093

About 2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 158249093) has the molecular formula C99H118N24O14S4 and a molecular weight of 1996.45 g/mol. Its IUPAC name is 2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
• PubChem CID: 158249093
• Molecular Formula: C99H118N24O14S4
• Molecular Weight: 1996.45 g/mol
• Exact Mass: 1994.81
• IUPAC Name: 2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
• SMILES: C.C.C.C.COCCOc1ccc2c(c1)C(=O)N(c1nc(C(=O)Nc3cnc(C)cc3N3CCNCC3)cs1)C2.COc1cc2c(cc1OC)C(=O)N(c1nc(C(=O)Nc3cnc(C)cc3N3CCNCC3)cs1)C2.COc1ccc2c(c1)C(=O)N(c1nc(C(=O)Nc3cnc(C)cc3N3CCNCC3)cs1)C2.COc1ccc2c(c1)CN(c1nc(C(=O)Nc3cnc(C)cc3N3CCNCC3)cs1)C2=O
• InChI: InChI=1S/C25H28N6O4S.C24H26N6O4S.2C23H24N6O3S.4CH4/c1-16-11-22(30-7-5-26-6-8-30)20(13-27-16)28-23(32)21-15-36-25(29-21)31-14-17-3-4-18(35-10-9-34-2)12-19(17)24(31)33;1-14-8-19(29-6-4-25-5-7-29)17(11-26-14)27-22(31)18-13-35-24(28-18)30-12-15-9-20(33-2)21(34-3)10-16(15)23(30)32;1-14-9-20(28-7-5-24-6-8-28)18(11-25-14)26-21(30)19-13-33-23(27-19)29-12-15-10-16(32-2)3-4-17(15)22(29)31;1-14-9-20(28-7-5-24-6-8-28)18(11-25-14)26-21(30)19-13-33-23(27-19)29-12-15-3-4-16(32-2)10-17(15)22(29)31;;;;/h3-4,11-13,15,26H,5-10,14H2,1-2H3,(H,28,32);8-11,13,25H,4-7,12H2,1-3H3,(H,27,31);2*3-4,9-11,13,24H,5-8,12H2,1-2H3,(H,26,30);4*1H4
• InChIKey: GGMLHJXPVXRPNN-UHFFFAOYSA-N
• XLogP: 13.28
• TPSA: 417.22 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 34
• Rotatable Bonds: 24
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1996.45
LogP ≤ 5	13.28
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 158249093) is 2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is C.C.C.C.COCCOc1ccc2c(c1)C(=O)N(c1nc(C(=O)Nc3cnc(C)cc3N3CCNCC3)cs1)C2.COc1cc2c(cc1OC)C(=O)N(c1nc(C(=O)Nc3cnc(C)cc3N3CCNCC3)cs1)C2.COc1ccc2c(c1)C(=O)N(c1nc(C(=O)Nc3cnc(C)cc3N3CCNCC3)cs1)C2.COc1ccc2c(c1)CN(c1nc(C(=O)Nc3cnc(C)cc3N3CCNCC3)cs1)C2=O.

What is the InChIKey of 2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?

The InChIKey is GGMLHJXPVXRPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O4S.C24H26N6O4S.2C23H24N6O3S.4CH4/c1-16-11-22(30-7-5-26-6-8-30)20(13-27-16)28-23(32)21-15-36-25(29-21)31-14-17-3-4-18(35-10-9-34-2)12-19(17)24(31)33;1-14-8-19(29-6-4-25-5-7-29)17(11-26-14)27-22(31)18-13-35-24(28-18)30-12-15-9-20(33-2)21(34-3)10-16(15)23(30)32;1-14-9-20(28-7-5-24-6-8-28)18(11-25-14)26-21(30)19-13-33-23(27-19)29-12-15-10-16(32-2)3-4-17(15)22(29)31;1-14-9-20(28-7-5-24-6-8-28)18(11-25-14)26-21(30)19-13-33-23(27-19)29-12-15-3-4-16(32-2)10-17(15)22(29)31;;;;/h3-4,11-13,15,26H,5-10,14H2,1-2H3,(H,28,32);8-11,13,25H,4-7,12H2,1-3H3,(H,27,31);2*3-4,9-11,13,24H,5-8,12H2,1-2H3,(H,26,30);4*1H4.

What are the key properties of 2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?

2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 1996.45 g/mol, XLogP of 13.28, 24 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 158249093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).