2-(5,8-difluoro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;N-[2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)phenyl]-2-indazol-2-yl-1,3-thiazole-4-carboxamide;2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide

C136H142F2N34O10S7 — CID 157311837

About 2-(5,8-difluoro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;N-[2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)phenyl]-2-indazol-2-yl-1,3-thiazole-4-carboxamide;2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide

2-(5,8-difluoro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;N-[2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)phenyl]-2-indazol-2-yl-1,3-thiazole-4-carboxamide;2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 157311837) has the molecular formula C136H142F2N34O10S7 and a molecular weight of 2675.32 g/mol. Its IUPAC name is 2-(5,8-difluoro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;N-[2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)phenyl]-2-indazol-2-yl-1,3-thiazole-4-carboxamide;2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-(5,8-difluoro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;N-[2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)phenyl]-2-indazol-2-yl-1,3-thiazole-4-carboxamide;2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
• PubChem CID: 157311837
• Molecular Formula: C136H142F2N34O10S7
• Molecular Weight: 2675.32 g/mol
• Exact Mass: 2672.97
• IUPAC Name: 2-(5,8-difluoro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;N-[2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)phenyl]-2-indazol-2-yl-1,3-thiazole-4-carboxamide;2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
• SMILES: COc1cc2c(cc1OC)CN(c1nc(C(=O)Nc3ccccc3N3CCNCC3)cs1)CC2.Cc1nc2c(s1)CN(c1nc(C(=O)Nc3ccccc3N3CCNCC3)cs1)C2.O=C(Nc1ccccc1N1CCNCC1)c1csc(N2CCc3c(F)ccc(F)c3C2)n1.O=C(Nc1ccccc1N1CCNCC1)c1csc(N2CCc3ccccc3C2)n1.O=C(Nc1ccccc1N1CCNCC1)c1csc(N2Cc3ccncc3C2)n1.O=C1NC(=O)C2(CCN(c3ccccc3NC(=O)c3csc(-n4cc5ccccc5n4)n3)CC2)N1
• InChI: InChI=1S/C25H29N5O3S.C24H21N7O3S.C23H23F2N5OS.C23H25N5OS.C21H22N6OS.C20H22N6OS2/c1-32-22-13-17-7-10-30(15-18(17)14-23(22)33-2)25-28-20(16-34-25)24(31)27-19-5-3-4-6-21(19)29-11-8-26-9-12-29;32-20(18-14-35-23(26-18)31-13-15-5-1-2-6-16(15)29-31)25-17-7-3-4-8-19(17)30-11-9-24(10-12-30)21(33)27-22(34)28-24;24-17-5-6-18(25)16-13-30(10-7-15(16)17)23-28-20(14-32-23)22(31)27-19-3-1-2-4-21(19)29-11-8-26-9-12-29;29-22(25-19-7-3-4-8-21(19)27-13-10-24-11-14-27)20-16-30-23(26-20)28-12-9-17-5-1-2-6-18(17)15-28;28-20(24-17-3-1-2-4-19(17)26-9-7-22-8-10-26)18-14-29-21(25-18)27-12-15-5-6-23-11-16(15)13-27;1-13-22-15-10-26(11-18(15)29-13)20-24-16(12-28-20)19(27)23-14-4-2-3-5-17(14)25-8-6-21-7-9-25/h3-6,13-14,16,26H,7-12,15H2,1-2H3,(H,27,31);1-8,13-14H,9-12H2,(H,25,32)(H2,27,28,33,34);1-6,14,26H,7-13H2,(H,27,31);1-8,16,24H,9-15H2,(H,25,29);1-6,11,14,22H,7-10,12-13H2,(H,24,28);2-5,12,21H,6-11H2,1H3,(H,23,27)
• InChIKey: BDCZFVXWJXMCDJ-UHFFFAOYSA-N
• XLogP: 19.12
• TPSA: 467.99 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 43
• Rotatable Bonds: 26
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2675.32
LogP ≤ 5	19.12
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(5,8-difluoro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;N-[2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)phenyl]-2-indazol-2-yl-1,3-thiazole-4-carboxamide;2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-(5,8-difluoro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;N-[2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)phenyl]-2-indazol-2-yl-1,3-thiazole-4-carboxamide;2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (CID 157311837) is 2-(5,8-difluoro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;N-[2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)phenyl]-2-indazol-2-yl-1,3-thiazole-4-carboxamide;2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-(5,8-difluoro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;N-[2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)phenyl]-2-indazol-2-yl-1,3-thiazole-4-carboxamide;2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-(5,8-difluoro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;N-[2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)phenyl]-2-indazol-2-yl-1,3-thiazole-4-carboxamide;2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is COc1cc2c(cc1OC)CN(c1nc(C(=O)Nc3ccccc3N3CCNCC3)cs1)CC2.Cc1nc2c(s1)CN(c1nc(C(=O)Nc3ccccc3N3CCNCC3)cs1)C2.O=C(Nc1ccccc1N1CCNCC1)c1csc(N2CCc3c(F)ccc(F)c3C2)n1.O=C(Nc1ccccc1N1CCNCC1)c1csc(N2CCc3ccccc3C2)n1.O=C(Nc1ccccc1N1CCNCC1)c1csc(N2Cc3ccncc3C2)n1.O=C1NC(=O)C2(CCN(c3ccccc3NC(=O)c3csc(-n4cc5ccccc5n4)n3)CC2)N1.

What is the InChIKey of 2-(5,8-difluoro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;N-[2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)phenyl]-2-indazol-2-yl-1,3-thiazole-4-carboxamide;2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?

The InChIKey is BDCZFVXWJXMCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3S.C24H21N7O3S.C23H23F2N5OS.C23H25N5OS.C21H22N6OS.C20H22N6OS2/c1-32-22-13-17-7-10-30(15-18(17)14-23(22)33-2)25-28-20(16-34-25)24(31)27-19-5-3-4-6-21(19)29-11-8-26-9-12-29;32-20(18-14-35-23(26-18)31-13-15-5-1-2-6-16(15)29-31)25-17-7-3-4-8-19(17)30-11-9-24(10-12-30)21(33)27-22(34)28-24;24-17-5-6-18(25)16-13-30(10-7-15(16)17)23-28-20(14-32-23)22(31)27-19-3-1-2-4-21(19)29-11-8-26-9-12-29;29-22(25-19-7-3-4-8-21(19)27-13-10-24-11-14-27)20-16-30-23(26-20)28-12-9-17-5-1-2-6-18(17)15-28;28-20(24-17-3-1-2-4-19(17)26-9-7-22-8-10-26)18-14-29-21(25-18)27-12-15-5-6-23-11-16(15)13-27;1-13-22-15-10-26(11-18(15)29-13)20-24-16(12-28-20)19(27)23-14-4-2-3-5-17(14)25-8-6-21-7-9-25/h3-6,13-14,16,26H,7-12,15H2,1-2H3,(H,27,31);1-8,13-14H,9-12H2,(H,25,32)(H2,27,28,33,34);1-6,14,26H,7-13H2,(H,27,31);1-8,16,24H,9-15H2,(H,25,29);1-6,11,14,22H,7-10,12-13H2,(H,24,28);2-5,12,21H,6-11H2,1H3,(H,23,27).

What are the key properties of 2-(5,8-difluoro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;N-[2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)phenyl]-2-indazol-2-yl-1,3-thiazole-4-carboxamide;2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?

2-(5,8-difluoro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;N-[2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)phenyl]-2-indazol-2-yl-1,3-thiazole-4-carboxamide;2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 2675.32 g/mol, XLogP of 19.12, 26 rotatable bonds, 13 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5,8-difluoro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;N-[2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)phenyl]-2-indazol-2-yl-1,3-thiazole-4-carboxamide;2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 157311837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).