2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-[4-[(3S)-3-ethylpiperazin-1-yl]-3-pyridinyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)-1,3-thiazole-4-carboxamide;N-[4-[(3R)-3-ethylpiperazin-1-yl]-3-pyridinyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)-1,3-thiazole-4-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-[4-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-[4-[(3S)-3-methylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide

C115H124N32O13S5 — CID 161304575

About 2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-[4-[(3S)-3-ethylpiperazin-1-yl]-3-pyridinyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)-1,3-thiazole-4-carboxamide;N-[4-[(3R)-3-ethylpiperazin-1-yl]-3-pyridinyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)-1,3-thiazole-4-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-[4-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-[4-[(3S)-3-methylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide

2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-[4-[(3S)-3-ethylpiperazin-1-yl]-3-pyridinyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)-1,3-thiazole-4-carboxamide;N-[4-[(3R)-3-ethylpiperazin-1-yl]-3-pyridinyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)-1,3-thiazole-4-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-[4-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-[4-[(3S)-3-methylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide (PubChem CID 161304575) has the molecular formula C115H124N32O13S5 and a molecular weight of 2322.80 g/mol. Its IUPAC name is 2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-[4-[(3S)-3-ethylpiperazin-1-yl]-3-pyridinyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)-1,3-thiazole-4-carboxamide;N-[4-[(3R)-3-ethylpiperazin-1-yl]-3-pyridinyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)-1,3-thiazole-4-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-[4-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-[4-[(3S)-3-methylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-[4-[(3S)-3-ethylpiperazin-1-yl]-3-pyridinyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)-1,3-thiazole-4-carboxamide;N-[4-[(3R)-3-ethylpiperazin-1-yl]-3-pyridinyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)-1,3-thiazole-4-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-[4-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-[4-[(3S)-3-methylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide
• PubChem CID: 161304575
• Molecular Formula: C115H124N32O13S5
• Molecular Weight: 2322.80 g/mol
• Exact Mass: 2320.86
• IUPAC Name: 2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-[4-[(3S)-3-ethylpiperazin-1-yl]-3-pyridinyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)-1,3-thiazole-4-carboxamide;N-[4-[(3R)-3-ethylpiperazin-1-yl]-3-pyridinyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)-1,3-thiazole-4-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-[4-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-[4-[(3S)-3-methylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide
• SMILES: CC[C@@H]1CN(c2ccncc2NC(=O)c2csc(-n3c(=O)n(C)c4ccccc43)n2)CCN1.CC[C@H]1CN(c2ccncc2NC(=O)c2csc(-n3c(=O)n(C)c4ccccc43)n2)CCN1.COc1cc2c(cc1OC)CN(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)C2.COc1ccc2c(c1)C(=O)N(c1nc(C(=O)Nc3cnccc3N3CCN[C@@H](C)C3)cs1)C2.COc1ccc2c(c1)C(=O)N(c1nc(C(=O)Nc3cnccc3N3CCN[C@H](C)C3)cs1)C2
• InChI: InChI=1S/2C23H25N7O2S.C23H26N6O3S.2C23H24N6O3S/c2*1-3-15-13-29(11-10-25-15)18-8-9-24-12-16(18)26-21(31)17-14-33-22(27-17)30-20-7-5-4-6-19(20)28(2)23(30)32;1-31-20-9-15-12-29(13-16(15)10-21(20)32-2)23-27-18(14-33-23)22(30)26-17-11-25-4-3-19(17)28-7-5-24-6-8-28;2*1-14-11-28(8-7-25-14)20-5-6-24-10-18(20)26-21(30)19-13-33-23(27-19)29-12-15-3-4-16(32-2)9-17(15)22(29)31/h2*4-9,12,14-15,25H,3,10-11,13H2,1-2H3,(H,26,31);3-4,9-11,14,24H,5-8,12-13H2,1-2H3,(H,26,30);2*3-6,9-10,13-14,25H,7-8,11-12H2,1-2H3,(H,26,30)/t2*15-;;2*14-/m10.10/s1
• InChIKey: VIBPHHAIEMQHFC-RIMKQYJHSA-N
• XLogP: 13.49
• TPSA: 485.39 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 43
• Rotatable Bonds: 26
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2322.80
LogP ≤ 5	13.49
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

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

The IUPAC name of 2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-[4-[(3S)-3-ethylpiperazin-1-yl]-3-pyridinyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)-1,3-thiazole-4-carboxamide;N-[4-[(3R)-3-ethylpiperazin-1-yl]-3-pyridinyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)-1,3-thiazole-4-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-[4-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-[4-[(3S)-3-methylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide (CID 161304575) is 2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-[4-[(3S)-3-ethylpiperazin-1-yl]-3-pyridinyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)-1,3-thiazole-4-carboxamide;N-[4-[(3R)-3-ethylpiperazin-1-yl]-3-pyridinyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)-1,3-thiazole-4-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-[4-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-[4-[(3S)-3-methylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide.

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

The canonical SMILES for 2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-[4-[(3S)-3-ethylpiperazin-1-yl]-3-pyridinyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)-1,3-thiazole-4-carboxamide;N-[4-[(3R)-3-ethylpiperazin-1-yl]-3-pyridinyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)-1,3-thiazole-4-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-[4-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-[4-[(3S)-3-methylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide is CC[C@@H]1CN(c2ccncc2NC(=O)c2csc(-n3c(=O)n(C)c4ccccc43)n2)CCN1.CC[C@H]1CN(c2ccncc2NC(=O)c2csc(-n3c(=O)n(C)c4ccccc43)n2)CCN1.COc1cc2c(cc1OC)CN(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)C2.COc1ccc2c(c1)C(=O)N(c1nc(C(=O)Nc3cnccc3N3CCN[C@@H](C)C3)cs1)C2.COc1ccc2c(c1)C(=O)N(c1nc(C(=O)Nc3cnccc3N3CCN[C@H](C)C3)cs1)C2.

What is the InChIKey of 2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-[4-[(3S)-3-ethylpiperazin-1-yl]-3-pyridinyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)-1,3-thiazole-4-carboxamide;N-[4-[(3R)-3-ethylpiperazin-1-yl]-3-pyridinyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)-1,3-thiazole-4-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-[4-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-[4-[(3S)-3-methylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide?

The InChIKey is VIBPHHAIEMQHFC-RIMKQYJHSA-N. The full InChI is InChI=1S/2C23H25N7O2S.C23H26N6O3S.2C23H24N6O3S/c2*1-3-15-13-29(11-10-25-15)18-8-9-24-12-16(18)26-21(31)17-14-33-22(27-17)30-20-7-5-4-6-19(20)28(2)23(30)32;1-31-20-9-15-12-29(13-16(15)10-21(20)32-2)23-27-18(14-33-23)22(30)26-17-11-25-4-3-19(17)28-7-5-24-6-8-28;2*1-14-11-28(8-7-25-14)20-5-6-24-10-18(20)26-21(30)19-13-33-23(27-19)29-12-15-3-4-16(32-2)9-17(15)22(29)31/h2*4-9,12,14-15,25H,3,10-11,13H2,1-2H3,(H,26,31);3-4,9-11,14,24H,5-8,12-13H2,1-2H3,(H,26,30);2*3-6,9-10,13-14,25H,7-8,11-12H2,1-2H3,(H,26,30)/t2*15-;;2*14-/m10.10/s1.

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

2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-[4-[(3S)-3-ethylpiperazin-1-yl]-3-pyridinyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)-1,3-thiazole-4-carboxamide;N-[4-[(3R)-3-ethylpiperazin-1-yl]-3-pyridinyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)-1,3-thiazole-4-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-[4-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-[4-[(3S)-3-methylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide has a molecular weight of 2322.80 g/mol, XLogP of 13.49, 26 rotatable bonds, 10 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-[4-[(3S)-3-ethylpiperazin-1-yl]-3-pyridinyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)-1,3-thiazole-4-carboxamide;N-[4-[(3R)-3-ethylpiperazin-1-yl]-3-pyridinyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)-1,3-thiazole-4-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-[4-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-[4-[(3S)-3-methylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 161304575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).