4-[2-(4-aminobutyl)-1,3-thiazol-4-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide;1-(3-aminopropyl)-2-ethyl-N-[6-(furan-2-yl)pyridazin-3-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-ethyl-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-ethyl-N-[5-(furan-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzimidazole-5-carboxamide;1-(3-aminopropyl)-2-methyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-thiadiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-methyl-N-[5-(1,3-oxazol-2-yl)-1,3,4-thiadiazol-2-yl]benzimidazole-5-carboxamide

C133H135N41O14S7 — CID 157112392

About 4-[2-(4-aminobutyl)-1,3-thiazol-4-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide;1-(3-aminopropyl)-2-ethyl-N-[6-(furan-2-yl)pyridazin-3-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-ethyl-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-ethyl-N-[5-(furan-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzimidazole-5-carboxamide;1-(3-aminopropyl)-2-methyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-thiadiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-methyl-N-[5-(1,3-oxazol-2-yl)-1,3,4-thiadiazol-2-yl]benzimidazole-5-carboxamide

4-[2-(4-aminobutyl)-1,3-thiazol-4-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide;1-(3-aminopropyl)-2-ethyl-N-[6-(furan-2-yl)pyridazin-3-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-ethyl-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-ethyl-N-[5-(furan-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzimidazole-5-carboxamide;1-(3-aminopropyl)-2-methyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-thiadiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-methyl-N-[5-(1,3-oxazol-2-yl)-1,3,4-thiadiazol-2-yl]benzimidazole-5-carboxamide (PubChem CID 157112392) has the molecular formula C133H135N41O14S7 and a molecular weight of 2756.28 g/mol. Its IUPAC name is 4-[2-(4-aminobutyl)-1,3-thiazol-4-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide;1-(3-aminopropyl)-2-ethyl-N-[6-(furan-2-yl)pyridazin-3-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-ethyl-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-ethyl-N-[5-(furan-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzimidazole-5-carboxamide;1-(3-aminopropyl)-2-methyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-thiadiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-methyl-N-[5-(1,3-oxazol-2-yl)-1,3,4-thiadiazol-2-yl]benzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-[2-(4-aminobutyl)-1,3-thiazol-4-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide;1-(3-aminopropyl)-2-ethyl-N-[6-(furan-2-yl)pyridazin-3-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-ethyl-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-ethyl-N-[5-(furan-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzimidazole-5-carboxamide;1-(3-aminopropyl)-2-methyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-thiadiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-methyl-N-[5-(1,3-oxazol-2-yl)-1,3,4-thiadiazol-2-yl]benzimidazole-5-carboxamide
• PubChem CID: 157112392
• Molecular Formula: C133H135N41O14S7
• Molecular Weight: 2756.28 g/mol
• Exact Mass: 2753.92
• IUPAC Name: 4-[2-(4-aminobutyl)-1,3-thiazol-4-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide;1-(3-aminopropyl)-2-ethyl-N-[6-(furan-2-yl)pyridazin-3-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-ethyl-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-ethyl-N-[5-(furan-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzimidazole-5-carboxamide;1-(3-aminopropyl)-2-methyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-thiadiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-methyl-N-[5-(1,3-oxazol-2-yl)-1,3,4-thiadiazol-2-yl]benzimidazole-5-carboxamide
• SMILES: CCc1nc2cc(C(=O)Nc3ccc(-c4ccco4)nn3)ccc2n1CCCN.CCc1nc2cc(C(=O)Nc3nc(-c4ccco4)cs3)ccc2n1CCCN.CCc1nc2cc(C(=O)Nc3ncc(-c4ccco4)s3)ccc2n1CCCN.Cc1nc2cc(C(=O)Nc3nnc(-c4ccco4)s3)ccc2n1CCCN.Cc1nc2cc(C(=O)Nc3nnc(-c4ccno4)s3)ccc2n1CCCN.Cc1nc2cc(C(=O)Nc3nnc(-c4ncco4)s3)ccc2n1CCCN.NCCCCc1nc(-c2ccc(C(=O)Nc3nnc(-c4ccco4)s3)cc2)cs1
• InChI: InChI=1S/C21H22N6O2.C20H19N5O2S2.2C20H21N5O2S.C18H18N6O2S.2C17H17N7O2S/c1-2-20-23-16-13-14(6-8-17(16)27(20)11-4-10-22)21(28)24-19-9-7-15(25-26-19)18-5-3-12-29-18;21-10-2-1-5-17-22-15(12-28-17)13-6-8-14(9-7-13)18(26)23-20-25-24-19(29-20)16-4-3-11-27-16;1-2-18-22-14-11-13(6-7-16(14)25(18)9-4-8-21)19(26)24-20-23-15(12-28-20)17-5-3-10-27-17;1-2-18-23-14-11-13(6-7-15(14)25(18)9-4-8-21)19(26)24-20-22-12-17(28-20)16-5-3-10-27-16;1-11-20-13-10-12(5-6-14(13)24(11)8-3-7-19)16(25)21-18-23-22-17(27-18)15-4-2-9-26-15;1-10-20-12-9-11(3-4-13(12)24(10)8-2-6-18)15(25)21-17-23-22-16(27-17)14-5-7-19-26-14;1-10-20-12-9-11(3-4-13(12)24(10)7-2-5-18)14(25)21-17-23-22-16(27-17)15-19-6-8-26-15/h3,5-9,12-13H,2,4,10-11,22H2,1H3,(H,24,26,28);3-4,6-9,11-12H,1-2,5,10,21H2,(H,23,25,26);3,5-7,10-12H,2,4,8-9,21H2,1H3,(H,23,24,26);3,5-7,10-12H,2,4,8-9,21H2,1H3,(H,22,24,26);2,4-6,9-10H,3,7-8,19H2,1H3,(H,21,23,25);3-5,7,9H,2,6,8,18H2,1H3,(H,21,23,25);3-4,6,8-9H,2,5,7,18H2,1H3,(H,21,23,25)
• InChIKey: AGZUIIKUTQSXFE-UHFFFAOYSA-N
• XLogP: 23.50
• TPSA: 778.09 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 55
• Rotatable Bonds: 47
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2756.28
LogP ≤ 5	23.50
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	55

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-aminobutyl)-1,3-thiazol-4-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide;1-(3-aminopropyl)-2-ethyl-N-[6-(furan-2-yl)pyridazin-3-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-ethyl-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-ethyl-N-[5-(furan-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzimidazole-5-carboxamide;1-(3-aminopropyl)-2-methyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-thiadiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-methyl-N-[5-(1,3-oxazol-2-yl)-1,3,4-thiadiazol-2-yl]benzimidazole-5-carboxamide?

The IUPAC name of 4-[2-(4-aminobutyl)-1,3-thiazol-4-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide;1-(3-aminopropyl)-2-ethyl-N-[6-(furan-2-yl)pyridazin-3-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-ethyl-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-ethyl-N-[5-(furan-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzimidazole-5-carboxamide;1-(3-aminopropyl)-2-methyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-thiadiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-methyl-N-[5-(1,3-oxazol-2-yl)-1,3,4-thiadiazol-2-yl]benzimidazole-5-carboxamide (CID 157112392) is 4-[2-(4-aminobutyl)-1,3-thiazol-4-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide;1-(3-aminopropyl)-2-ethyl-N-[6-(furan-2-yl)pyridazin-3-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-ethyl-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-ethyl-N-[5-(furan-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzimidazole-5-carboxamide;1-(3-aminopropyl)-2-methyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-thiadiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-methyl-N-[5-(1,3-oxazol-2-yl)-1,3,4-thiadiazol-2-yl]benzimidazole-5-carboxamide.

What is the SMILES notation for 4-[2-(4-aminobutyl)-1,3-thiazol-4-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide;1-(3-aminopropyl)-2-ethyl-N-[6-(furan-2-yl)pyridazin-3-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-ethyl-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-ethyl-N-[5-(furan-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzimidazole-5-carboxamide;1-(3-aminopropyl)-2-methyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-thiadiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-methyl-N-[5-(1,3-oxazol-2-yl)-1,3,4-thiadiazol-2-yl]benzimidazole-5-carboxamide?

The canonical SMILES for 4-[2-(4-aminobutyl)-1,3-thiazol-4-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide;1-(3-aminopropyl)-2-ethyl-N-[6-(furan-2-yl)pyridazin-3-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-ethyl-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-ethyl-N-[5-(furan-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzimidazole-5-carboxamide;1-(3-aminopropyl)-2-methyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-thiadiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-methyl-N-[5-(1,3-oxazol-2-yl)-1,3,4-thiadiazol-2-yl]benzimidazole-5-carboxamide is CCc1nc2cc(C(=O)Nc3ccc(-c4ccco4)nn3)ccc2n1CCCN.CCc1nc2cc(C(=O)Nc3nc(-c4ccco4)cs3)ccc2n1CCCN.CCc1nc2cc(C(=O)Nc3ncc(-c4ccco4)s3)ccc2n1CCCN.Cc1nc2cc(C(=O)Nc3nnc(-c4ccco4)s3)ccc2n1CCCN.Cc1nc2cc(C(=O)Nc3nnc(-c4ccno4)s3)ccc2n1CCCN.Cc1nc2cc(C(=O)Nc3nnc(-c4ncco4)s3)ccc2n1CCCN.NCCCCc1nc(-c2ccc(C(=O)Nc3nnc(-c4ccco4)s3)cc2)cs1.

What is the InChIKey of 4-[2-(4-aminobutyl)-1,3-thiazol-4-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide;1-(3-aminopropyl)-2-ethyl-N-[6-(furan-2-yl)pyridazin-3-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-ethyl-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-ethyl-N-[5-(furan-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzimidazole-5-carboxamide;1-(3-aminopropyl)-2-methyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-thiadiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-methyl-N-[5-(1,3-oxazol-2-yl)-1,3,4-thiadiazol-2-yl]benzimidazole-5-carboxamide?

The InChIKey is AGZUIIKUTQSXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2.C20H19N5O2S2.2C20H21N5O2S.C18H18N6O2S.2C17H17N7O2S/c1-2-20-23-16-13-14(6-8-17(16)27(20)11-4-10-22)21(28)24-19-9-7-15(25-26-19)18-5-3-12-29-18;21-10-2-1-5-17-22-15(12-28-17)13-6-8-14(9-7-13)18(26)23-20-25-24-19(29-20)16-4-3-11-27-16;1-2-18-22-14-11-13(6-7-16(14)25(18)9-4-8-21)19(26)24-20-23-15(12-28-20)17-5-3-10-27-17;1-2-18-23-14-11-13(6-7-15(14)25(18)9-4-8-21)19(26)24-20-22-12-17(28-20)16-5-3-10-27-16;1-11-20-13-10-12(5-6-14(13)24(11)8-3-7-19)16(25)21-18-23-22-17(27-18)15-4-2-9-26-15;1-10-20-12-9-11(3-4-13(12)24(10)8-2-6-18)15(25)21-17-23-22-16(27-17)14-5-7-19-26-14;1-10-20-12-9-11(3-4-13(12)24(10)7-2-5-18)14(25)21-17-23-22-16(27-17)15-19-6-8-26-15/h3,5-9,12-13H,2,4,10-11,22H2,1H3,(H,24,26,28);3-4,6-9,11-12H,1-2,5,10,21H2,(H,23,25,26);3,5-7,10-12H,2,4,8-9,21H2,1H3,(H,23,24,26);3,5-7,10-12H,2,4,8-9,21H2,1H3,(H,22,24,26);2,4-6,9-10H,3,7-8,19H2,1H3,(H,21,23,25);3-5,7,9H,2,6,8,18H2,1H3,(H,21,23,25);3-4,6,8-9H,2,5,7,18H2,1H3,(H,21,23,25).

What are the key properties of 4-[2-(4-aminobutyl)-1,3-thiazol-4-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide;1-(3-aminopropyl)-2-ethyl-N-[6-(furan-2-yl)pyridazin-3-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-ethyl-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-ethyl-N-[5-(furan-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzimidazole-5-carboxamide;1-(3-aminopropyl)-2-methyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-thiadiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-methyl-N-[5-(1,3-oxazol-2-yl)-1,3,4-thiadiazol-2-yl]benzimidazole-5-carboxamide?

4-[2-(4-aminobutyl)-1,3-thiazol-4-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide;1-(3-aminopropyl)-2-ethyl-N-[6-(furan-2-yl)pyridazin-3-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-ethyl-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-ethyl-N-[5-(furan-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzimidazole-5-carboxamide;1-(3-aminopropyl)-2-methyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-thiadiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-methyl-N-[5-(1,3-oxazol-2-yl)-1,3,4-thiadiazol-2-yl]benzimidazole-5-carboxamide has a molecular weight of 2756.28 g/mol, XLogP of 23.50, 47 rotatable bonds, 14 hydrogen bond donors, and 55 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(4-aminobutyl)-1,3-thiazol-4-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide;1-(3-aminopropyl)-2-ethyl-N-[6-(furan-2-yl)pyridazin-3-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-ethyl-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-ethyl-N-[5-(furan-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzimidazole-5-carboxamide;1-(3-aminopropyl)-2-methyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-thiadiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-methyl-N-[5-(1,3-oxazol-2-yl)-1,3,4-thiadiazol-2-yl]benzimidazole-5-carboxamide is sourced from PubChem (CID 157112392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).