5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide

C134H141N43O20S8 — CID 158354153

About 5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide

5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 158354153) has the molecular formula C134H141N43O20S8 and a molecular weight of 2930.42 g/mol. Its IUPAC name is 5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide
• PubChem CID: 158354153
• Molecular Formula: C134H141N43O20S8
• Molecular Weight: 2930.42 g/mol
• Exact Mass: 2927.91
• IUPAC Name: 5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide
• SMILES: COCCOCCOc1ccc2c(c1)C(=O)N(c1nnc(C(=O)Nc3cnccc3N3CCNCC3)s1)C2.COCCOc1ccc2c(c1)CN(c1nnc(C(=O)Nc3cnccc3N3CCNCC3)s1)C2=O.CS(=O)(=O)c1ccc2c(c1)C(=O)N(c1nnc(C(=O)Nc3cnccc3N3CCNCC3)s1)C2.CSc1ccc2c(c1)C(=O)N(c1nnc(C(=O)Nc3cnccc3N3CCNCC3)s1)C2.O=C(Nc1cnccc1N1CCNCC1)c1nnc(-c2nc3ccccc3[nH]2)s1.O=C(Nc1cnccc1N1CCNCC1)c1nnc(N2Cc3ccc(OCC4CCCO4)cc3C2=O)s1
• InChI: InChI=1S/C25H29N7O5S.C25H27N7O4S.C23H25N7O4S.C21H21N7O4S2.C21H21N7O2S2.C19H18N8OS/c1-35-10-11-36-12-13-37-18-3-2-17-16-32(24(34)19(17)14-18)25-30-29-23(38-25)22(33)28-20-15-27-5-4-21(20)31-8-6-26-7-9-31;33-22(28-20-13-27-6-5-21(20)31-9-7-26-8-10-31)23-29-30-25(37-23)32-14-16-3-4-17(12-19(16)24(32)34)36-15-18-2-1-11-35-18;1-33-10-11-34-16-2-3-17-15(12-16)14-30(22(17)32)23-28-27-21(35-23)20(31)26-18-13-25-5-4-19(18)29-8-6-24-7-9-29;1-34(31,32)14-3-2-13-12-28(20(30)15(13)10-14)21-26-25-19(33-21)18(29)24-16-11-23-5-4-17(16)27-8-6-22-7-9-27;1-31-14-3-2-13-12-28(20(30)15(13)10-14)21-26-25-19(32-21)18(29)24-16-11-23-5-4-17(16)27-8-6-22-7-9-27;28-17(24-14-11-21-6-5-15(14)27-9-7-20-8-10-27)19-26-25-18(29-19)16-22-12-3-1-2-4-13(12)23-16/h2-5,14-15,26H,6-13,16H2,1H3,(H,28,33);3-6,12-13,18,26H,1-2,7-11,14-15H2,(H,28,33);2-5,12-13,24H,6-11,14H2,1H3,(H,26,31);2-5,10-11,22H,6-9,12H2,1H3,(H,24,29);2-5,10-11,22H,6-9,12H2,1H3,(H,24,29);1-6,11,20H,7-10H2,(H,22,23)(H,24,28)
• InChIKey: GSRDPZASBSNBPI-UHFFFAOYSA-N
• XLogP: 11.67
• TPSA: 727.22 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 58
• Rotatable Bonds: 40
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2930.42
LogP ≤ 5	11.67
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	58

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide?

The IUPAC name of 5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide (CID 158354153) is 5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide.

What is the SMILES notation for 5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide?

The canonical SMILES for 5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide is COCCOCCOc1ccc2c(c1)C(=O)N(c1nnc(C(=O)Nc3cnccc3N3CCNCC3)s1)C2.COCCOc1ccc2c(c1)CN(c1nnc(C(=O)Nc3cnccc3N3CCNCC3)s1)C2=O.CS(=O)(=O)c1ccc2c(c1)C(=O)N(c1nnc(C(=O)Nc3cnccc3N3CCNCC3)s1)C2.CSc1ccc2c(c1)C(=O)N(c1nnc(C(=O)Nc3cnccc3N3CCNCC3)s1)C2.O=C(Nc1cnccc1N1CCNCC1)c1nnc(-c2nc3ccccc3[nH]2)s1.O=C(Nc1cnccc1N1CCNCC1)c1nnc(N2Cc3ccc(OCC4CCCO4)cc3C2=O)s1.

What is the InChIKey of 5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide?

The InChIKey is GSRDPZASBSNBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O5S.C25H27N7O4S.C23H25N7O4S.C21H21N7O4S2.C21H21N7O2S2.C19H18N8OS/c1-35-10-11-36-12-13-37-18-3-2-17-16-32(24(34)19(17)14-18)25-30-29-23(38-25)22(33)28-20-15-27-5-4-21(20)31-8-6-26-7-9-31;33-22(28-20-13-27-6-5-21(20)31-9-7-26-8-10-31)23-29-30-25(37-23)32-14-16-3-4-17(12-19(16)24(32)34)36-15-18-2-1-11-35-18;1-33-10-11-34-16-2-3-17-15(12-16)14-30(22(17)32)23-28-27-21(35-23)20(31)26-18-13-25-5-4-19(18)29-8-6-24-7-9-29;1-34(31,32)14-3-2-13-12-28(20(30)15(13)10-14)21-26-25-19(33-21)18(29)24-16-11-23-5-4-17(16)27-8-6-22-7-9-27;1-31-14-3-2-13-12-28(20(30)15(13)10-14)21-26-25-19(32-21)18(29)24-16-11-23-5-4-17(16)27-8-6-22-7-9-27;28-17(24-14-11-21-6-5-15(14)27-9-7-20-8-10-27)19-26-25-18(29-19)16-22-12-3-1-2-4-13(12)23-16/h2-5,14-15,26H,6-13,16H2,1H3,(H,28,33);3-6,12-13,18,26H,1-2,7-11,14-15H2,(H,28,33);2-5,12-13,24H,6-11,14H2,1H3,(H,26,31);2-5,10-11,22H,6-9,12H2,1H3,(H,24,29);2-5,10-11,22H,6-9,12H2,1H3,(H,24,29);1-6,11,20H,7-10H2,(H,22,23)(H,24,28).

What are the key properties of 5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide?

5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 2930.42 g/mol, XLogP of 11.67, 40 rotatable bonds, 13 hydrogen bond donors, and 58 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 158354153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).