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;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-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;N-(2-piperazin-1-ylphenyl)-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3-thiazole-4-carboxamide

C106H119N31O7S5 — CID 158321757

About 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;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-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;N-(2-piperazin-1-ylphenyl)-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-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;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-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;N-(2-piperazin-1-ylphenyl)-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3-thiazole-4-carboxamide (PubChem CID 158321757) has the molecular formula C106H119N31O7S5 and a molecular weight of 2099.66 g/mol. Its IUPAC name is 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;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-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;N-(2-piperazin-1-ylphenyl)-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 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;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-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;N-(2-piperazin-1-ylphenyl)-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3-thiazole-4-carboxamide
• PubChem CID: 158321757
• Molecular Formula: C106H119N31O7S5
• Molecular Weight: 2099.66 g/mol
• Exact Mass: 2097.85
• IUPAC Name: 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;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-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;N-(2-piperazin-1-ylphenyl)-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3-thiazole-4-carboxamide
• SMILES: COc1cc2c(cc1OC)CN(c1nc(C(=O)Nc3ccccc3N3CCNCC3)cs1)C2.Cc1[nH]nc2c1CN(c1nc(C(=O)Nc3ccccc3N3CCNCC3)cs1)CC2.O=C(Nc1ccccc1N1CCNCC1)c1csc(N2CCc3nc[nH]c3C2)n1.O=C(Nc1ccccc1N1CCNCC1)c1csc(N2Cc3ccccc3C2)n1.O=C(Nc1ccccc1N1CCNCC1)c1csc(N2Cc3cn[nH]c3C2)n1
• InChI: InChI=1S/C24H27N5O3S.C22H23N5OS.C21H25N7OS.C20H23N7OS.C19H21N7OS/c1-31-21-11-16-13-29(14-17(16)12-22(21)32-2)24-27-19(15-33-24)23(30)26-18-5-3-4-6-20(18)28-9-7-25-8-10-28;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;28-19(24-15-3-1-2-4-18(15)26-9-6-21-7-10-26)17-12-29-20(25-17)27-8-5-14-16(11-27)23-13-22-14;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/h3-6,11-12,15,25H,7-10,13-14H2,1-2H3,(H,26,30);1-8,15,23H,9-14H2,(H,24,28);2-5,13,22H,6-12H2,1H3,(H,23,29)(H,25,26);1-4,12-13,21H,5-11H2,(H,22,23)(H,24,28);1-4,9,12,20H,5-8,10-11H2,(H,21,24)(H,22,27)
• InChIKey: GOXYKZYDRYPXJB-UHFFFAOYSA-N
• XLogP: 13.21
• TPSA: 407.00 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 35
• Rotatable Bonds: 22
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2099.66
LogP ≤ 5	13.21
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 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;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-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;N-(2-piperazin-1-ylphenyl)-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3-thiazole-4-carboxamide?

The IUPAC name of 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;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-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;N-(2-piperazin-1-ylphenyl)-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3-thiazole-4-carboxamide (CID 158321757) is 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;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-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;N-(2-piperazin-1-ylphenyl)-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 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;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-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;N-(2-piperazin-1-ylphenyl)-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3-thiazole-4-carboxamide?

The canonical SMILES for 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;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-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;N-(2-piperazin-1-ylphenyl)-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3-thiazole-4-carboxamide is COc1cc2c(cc1OC)CN(c1nc(C(=O)Nc3ccccc3N3CCNCC3)cs1)C2.Cc1[nH]nc2c1CN(c1nc(C(=O)Nc3ccccc3N3CCNCC3)cs1)CC2.O=C(Nc1ccccc1N1CCNCC1)c1csc(N2CCc3nc[nH]c3C2)n1.O=C(Nc1ccccc1N1CCNCC1)c1csc(N2Cc3ccccc3C2)n1.O=C(Nc1ccccc1N1CCNCC1)c1csc(N2Cc3cn[nH]c3C2)n1.

What is the InChIKey of 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;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-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;N-(2-piperazin-1-ylphenyl)-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3-thiazole-4-carboxamide?

The InChIKey is GOXYKZYDRYPXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3S.C22H23N5OS.C21H25N7OS.C20H23N7OS.C19H21N7OS/c1-31-21-11-16-13-29(14-17(16)12-22(21)32-2)24-27-19(15-33-24)23(30)26-18-5-3-4-6-20(18)28-9-7-25-8-10-28;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;28-19(24-15-3-1-2-4-18(15)26-9-6-21-7-10-26)17-12-29-20(25-17)27-8-5-14-16(11-27)23-13-22-14;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/h3-6,11-12,15,25H,7-10,13-14H2,1-2H3,(H,26,30);1-8,15,23H,9-14H2,(H,24,28);2-5,13,22H,6-12H2,1H3,(H,23,29)(H,25,26);1-4,12-13,21H,5-11H2,(H,22,23)(H,24,28);1-4,9,12,20H,5-8,10-11H2,(H,21,24)(H,22,27).

What are the key properties of 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;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-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;N-(2-piperazin-1-ylphenyl)-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-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;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-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;N-(2-piperazin-1-ylphenyl)-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 2099.66 g/mol, XLogP of 13.21, 22 rotatable bonds, 13 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 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;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-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;N-(2-piperazin-1-ylphenyl)-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 158321757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).