4-[2-(4-aminobutyl)-1,3-thiazol-4-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide;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;methane

C73H75N25O8S5 — CID 159008414

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)-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;methane

4-[2-(4-aminobutyl)-1,3-thiazol-4-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide;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;methane (PubChem CID 159008414) has the molecular formula C73H75N25O8S5 and a molecular weight of 1590.90 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)-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;methane.

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)-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;methane
• PubChem CID: 159008414
• Molecular Formula: C73H75N25O8S5
• Molecular Weight: 1590.90 g/mol
• Exact Mass: 1589.48
• 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)-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;methane
• SMILES: C.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/C20H19N5O2S2.C18H18N6O2S.2C17H17N7O2S.CH4/c21-10-2-1-5-17-22-15(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;1-11-20-13-10-12(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;/h3-4,6-9,11-12H,1-2,5,10,21H2,(H,23,25,26);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);1H4
• InChIKey: JSFBPTSGLHSLBB-UHFFFAOYSA-N
• XLogP: 13.05
• TPSA: 468.29 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 34
• Rotatable Bonds: 26
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1590.90
LogP ≤ 5	13.05
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	34

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)-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;methane?

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)-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;methane (CID 159008414) 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)-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;methane.

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)-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;methane?

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)-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;methane is C.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)-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;methane?

The InChIKey is JSFBPTSGLHSLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S2.C18H18N6O2S.2C17H17N7O2S.CH4/c21-10-2-1-5-17-22-15(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;1-11-20-13-10-12(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;/h3-4,6-9,11-12H,1-2,5,10,21H2,(H,23,25,26);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);1H4.

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)-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;methane?

4-[2-(4-aminobutyl)-1,3-thiazol-4-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide;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;methane has a molecular weight of 1590.90 g/mol, XLogP of 13.05, 26 rotatable bonds, 8 hydrogen bond donors, and 34 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)-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;methane is sourced from PubChem (CID 159008414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).