2-(5,8-difluoro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1,3-dihydroisoindol-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;methane;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-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide

C110H134F2N30O5S6 — CID 159546223

About 2-(5,8-difluoro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1,3-dihydroisoindol-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;methane;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-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-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-(1,3-dihydroisoindol-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;methane;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-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 159546223) has the molecular formula C110H134F2N30O5S6 and a molecular weight of 2186.88 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-(1,3-dihydroisoindol-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;methane;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-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-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-(1,3-dihydroisoindol-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;methane;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-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
• PubChem CID: 159546223
• Molecular Formula: C110H134F2N30O5S6
• Molecular Weight: 2186.88 g/mol
• Exact Mass: 2184.94
• IUPAC Name: 2-(5,8-difluoro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1,3-dihydroisoindol-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;methane;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-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
• SMILES: C.C.C.C.C.Cc1[nH]nc2c1CN(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(N2Cc3ccccc3C2)n1.O=C(Nc1ccccc1N1CCNCC1)c1csc(N2Cc3cn[nH]c3C2)n1
• InChI: InChI=1S/C23H23F2N5OS.C22H23N5OS.C21H25N7OS.C20H22N6OS2.C19H21N7OS.5CH4/c24-17-5-6-18(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;28-21(24-18-7-3-4-8-20(18)26-11-9-23-10-12-26)19-15-29-22(25-19)27-13-16-5-1-2-6-17(16)14-27;1-14-15-12-28(9-6-16(15)26-25-14)21-24-18(13-30-21)20(29)23-17-4-2-3-5-19(17)27-10-7-22-8-11-27;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;27-18(22-14-3-1-2-4-17(14)25-7-5-20-6-8-25)16-12-28-19(23-16)26-10-13-9-21-24-15(13)11-26;;;;;/h1-6,14,26H,7-13H2,(H,27,31);1-8,15,23H,9-14H2,(H,24,28);2-5,13,22H,6-12H2,1H3,(H,23,29)(H,25,26);2-5,12,21H,6-11H2,1H3,(H,23,27);1-4,9,12,20H,5-8,10-11H2,(H,21,24)(H,22,27);5*1H4
• InChIKey: MEVDIEDVGBUTNM-UHFFFAOYSA-N
• XLogP: 17.69
• TPSA: 372.75 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 34
• Rotatable Bonds: 20
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2186.88
LogP ≤ 5	17.69
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	34

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-(1,3-dihydroisoindol-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;methane;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-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-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-(1,3-dihydroisoindol-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;methane;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-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (CID 159546223) is 2-(5,8-difluoro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1,3-dihydroisoindol-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;methane;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-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-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-(1,3-dihydroisoindol-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;methane;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-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-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-(1,3-dihydroisoindol-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;methane;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-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is C.C.C.C.C.Cc1[nH]nc2c1CN(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(N2Cc3ccccc3C2)n1.O=C(Nc1ccccc1N1CCNCC1)c1csc(N2Cc3cn[nH]c3C2)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-(1,3-dihydroisoindol-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;methane;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-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?

The InChIKey is MEVDIEDVGBUTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N5OS.C22H23N5OS.C21H25N7OS.C20H22N6OS2.C19H21N7OS.5CH4/c24-17-5-6-18(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;28-21(24-18-7-3-4-8-20(18)26-11-9-23-10-12-26)19-15-29-22(25-19)27-13-16-5-1-2-6-17(16)14-27;1-14-15-12-28(9-6-16(15)26-25-14)21-24-18(13-30-21)20(29)23-17-4-2-3-5-19(17)27-10-7-22-8-11-27;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;27-18(22-14-3-1-2-4-17(14)25-7-5-20-6-8-25)16-12-28-19(23-16)26-10-13-9-21-24-15(13)11-26;;;;;/h1-6,14,26H,7-13H2,(H,27,31);1-8,15,23H,9-14H2,(H,24,28);2-5,13,22H,6-12H2,1H3,(H,23,29)(H,25,26);2-5,12,21H,6-11H2,1H3,(H,23,27);1-4,9,12,20H,5-8,10-11H2,(H,21,24)(H,22,27);5*1H4.

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-(1,3-dihydroisoindol-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;methane;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-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-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-(1,3-dihydroisoindol-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;methane;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-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 2186.88 g/mol, XLogP of 17.69, 20 rotatable bonds, 12 hydrogen bond donors, and 34 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-(1,3-dihydroisoindol-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;methane;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-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 159546223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).