2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(3,4-dimethoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(4-phenoxyphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

C91H87N23O8S4 — CID 159306271

About 2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(3,4-dimethoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(4-phenoxyphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(3,4-dimethoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(4-phenoxyphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 159306271) has the molecular formula C91H87N23O8S4 and a molecular weight of 1759.12 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(3,4-dimethoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(4-phenoxyphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(3,4-dimethoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(4-phenoxyphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
• PubChem CID: 159306271
• Molecular Formula: C91H87N23O8S4
• Molecular Weight: 1759.12 g/mol
• Exact Mass: 1757.60
• IUPAC Name: 2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(3,4-dimethoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(4-phenoxyphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
• SMILES: COc1ccc(-n2cc(-c3nc(C(=O)Nc4cnccc4N4CCNCC4)cs3)cn2)cc1OC.O=C(Nc1cnccc1N1CCNCC1)c1csc(-c2cc3ccccc3[nH]2)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(-c2cc3ccccc3o2)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(-c2ccc(Oc3ccccc3)cc2)n1
• InChI: InChI=1S/C25H23N5O2S.C24H25N7O3S.C21H20N6OS.C21H19N5O2S/c31-24(28-21-16-27-11-10-23(21)30-14-12-26-13-15-30)22-17-33-25(29-22)18-6-8-20(9-7-18)32-19-4-2-1-3-5-19;1-33-21-4-3-17(11-22(21)34-2)31-14-16(12-27-31)24-29-19(15-35-24)23(32)28-18-13-26-6-5-20(18)30-9-7-25-8-10-30;28-20(25-17-12-23-6-5-19(17)27-9-7-22-8-10-27)18-13-29-21(26-18)16-11-14-3-1-2-4-15(14)24-16;27-20(24-15-12-23-6-5-17(15)26-9-7-22-8-10-26)16-13-29-21(25-16)19-11-14-3-1-2-4-18(14)28-19/h1-11,16-17,26H,12-15H2,(H,28,31);3-6,11-15,25H,7-10H2,1-2H3,(H,28,32);1-6,11-13,22,24H,7-10H2,(H,25,28);1-6,11-13,22H,7-10H2,(H,24,27)
• InChIKey: LBYNHGWBQVDVNF-UHFFFAOYSA-N
• XLogP: 14.69
• TPSA: 355.04 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 30
• Rotatable Bonds: 21
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1759.12
LogP ≤ 5	14.69
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(3,4-dimethoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(4-phenoxyphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(3,4-dimethoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(4-phenoxyphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 159306271) is 2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(3,4-dimethoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(4-phenoxyphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(3,4-dimethoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(4-phenoxyphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(3,4-dimethoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(4-phenoxyphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is COc1ccc(-n2cc(-c3nc(C(=O)Nc4cnccc4N4CCNCC4)cs3)cn2)cc1OC.O=C(Nc1cnccc1N1CCNCC1)c1csc(-c2cc3ccccc3[nH]2)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(-c2cc3ccccc3o2)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(-c2ccc(Oc3ccccc3)cc2)n1.

What is the InChIKey of 2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(3,4-dimethoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(4-phenoxyphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?

The InChIKey is LBYNHGWBQVDVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2S.C24H25N7O3S.C21H20N6OS.C21H19N5O2S/c31-24(28-21-16-27-11-10-23(21)30-14-12-26-13-15-30)22-17-33-25(29-22)18-6-8-20(9-7-18)32-19-4-2-1-3-5-19;1-33-21-4-3-17(11-22(21)34-2)31-14-16(12-27-31)24-29-19(15-35-24)23(32)28-18-13-26-6-5-20(18)30-9-7-25-8-10-30;28-20(25-17-12-23-6-5-19(17)27-9-7-22-8-10-27)18-13-29-21(26-18)16-11-14-3-1-2-4-15(14)24-16;27-20(24-15-12-23-6-5-17(15)26-9-7-22-8-10-26)16-13-29-21(25-16)19-11-14-3-1-2-4-18(14)28-19/h1-11,16-17,26H,12-15H2,(H,28,31);3-6,11-15,25H,7-10H2,1-2H3,(H,28,32);1-6,11-13,22,24H,7-10H2,(H,25,28);1-6,11-13,22H,7-10H2,(H,24,27).

What are the key properties of 2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(3,4-dimethoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(4-phenoxyphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?

2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(3,4-dimethoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(4-phenoxyphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 1759.12 g/mol, XLogP of 14.69, 21 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[1-(3,4-dimethoxyphenyl)pyrazol-4-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(4-phenoxyphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 159306271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).