2-[2-[[4-(3-methylbutyl)-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-N-(3-methylsulfanylpropyl)-1,3-thiazole-4-carboxamide;2-[2-[[4-(3-methylbutyl)-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane

C48H53N9O7S9 — CID 160825982

About 2-[2-[[4-(3-methylbutyl)-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-N-(3-methylsulfanylpropyl)-1,3-thiazole-4-carboxamide;2-[2-[[4-(3-methylbutyl)-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane

2-[2-[[4-(3-methylbutyl)-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-N-(3-methylsulfanylpropyl)-1,3-thiazole-4-carboxamide;2-[2-[[4-(3-methylbutyl)-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane (PubChem CID 160825982) has the molecular formula C48H53N9O7S9 and a molecular weight of 1156.61 g/mol. Its IUPAC name is 2-[2-[[4-(3-methylbutyl)-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-N-(3-methylsulfanylpropyl)-1,3-thiazole-4-carboxamide;2-[2-[[4-(3-methylbutyl)-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane.

Molecular Properties

• Compound Name: 2-[2-[[4-(3-methylbutyl)-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-N-(3-methylsulfanylpropyl)-1,3-thiazole-4-carboxamide;2-[2-[[4-(3-methylbutyl)-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane
• PubChem CID: 160825982
• Molecular Formula: C48H53N9O7S9
• Molecular Weight: 1156.61 g/mol
• Exact Mass: 1155.16
• IUPAC Name: 2-[2-[[4-(3-methylbutyl)-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-N-(3-methylsulfanylpropyl)-1,3-thiazole-4-carboxamide;2-[2-[[4-(3-methylbutyl)-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane
• SMILES: CC(C)CCc1c2c(cc(=O)n1Cc1nc(-c3nc(C(=O)O)cs3)cs1)C1(CC1)NC2=O.CSCCCNC(=O)c1csc(-c2csc(Cn3c(CCC(C)C)c4c(cc3=O)C3(CC3)NC4=O)n2)n1.S=S=S=S
• InChI: InChI=1S/C26H31N5O3S3.C22H22N4O4S2.S4/c1-15(2)5-6-19-22-16(26(7-8-26)30-24(22)34)11-21(32)31(19)12-20-28-18(14-36-20)25-29-17(13-37-25)23(33)27-9-4-10-35-3;1-11(2)3-4-15-18-12(22(5-6-22)25-19(18)28)7-17(27)26(15)8-16-23-13(9-31-16)20-24-14(10-32-20)21(29)30;1-3-4-2/h11,13-15H,4-10,12H2,1-3H3,(H,27,33)(H,30,34);7,9-11H,3-6,8H2,1-2H3,(H,25,28)(H,29,30)
• InChIKey: SGECAVVZBNEXDS-UHFFFAOYSA-N
• XLogP: 7.77
• TPSA: 220.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 18
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1156.61
LogP ≤ 5	7.77
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(3-methylbutyl)-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-N-(3-methylsulfanylpropyl)-1,3-thiazole-4-carboxamide;2-[2-[[4-(3-methylbutyl)-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane?

The IUPAC name of 2-[2-[[4-(3-methylbutyl)-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-N-(3-methylsulfanylpropyl)-1,3-thiazole-4-carboxamide;2-[2-[[4-(3-methylbutyl)-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane (CID 160825982) is 2-[2-[[4-(3-methylbutyl)-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-N-(3-methylsulfanylpropyl)-1,3-thiazole-4-carboxamide;2-[2-[[4-(3-methylbutyl)-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane.

What is the SMILES notation for 2-[2-[[4-(3-methylbutyl)-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-N-(3-methylsulfanylpropyl)-1,3-thiazole-4-carboxamide;2-[2-[[4-(3-methylbutyl)-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane?

The canonical SMILES for 2-[2-[[4-(3-methylbutyl)-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-N-(3-methylsulfanylpropyl)-1,3-thiazole-4-carboxamide;2-[2-[[4-(3-methylbutyl)-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane is CC(C)CCc1c2c(cc(=O)n1Cc1nc(-c3nc(C(=O)O)cs3)cs1)C1(CC1)NC2=O.CSCCCNC(=O)c1csc(-c2csc(Cn3c(CCC(C)C)c4c(cc3=O)C3(CC3)NC4=O)n2)n1.S=S=S=S.

What is the InChIKey of 2-[2-[[4-(3-methylbutyl)-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-N-(3-methylsulfanylpropyl)-1,3-thiazole-4-carboxamide;2-[2-[[4-(3-methylbutyl)-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane?

The InChIKey is SGECAVVZBNEXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3S3.C22H22N4O4S2.S4/c1-15(2)5-6-19-22-16(26(7-8-26)30-24(22)34)11-21(32)31(19)12-20-28-18(14-36-20)25-29-17(13-37-25)23(33)27-9-4-10-35-3;1-11(2)3-4-15-18-12(22(5-6-22)25-19(18)28)7-17(27)26(15)8-16-23-13(9-31-16)20-24-14(10-32-20)21(29)30;1-3-4-2/h11,13-15H,4-10,12H2,1-3H3,(H,27,33)(H,30,34);7,9-11H,3-6,8H2,1-2H3,(H,25,28)(H,29,30);.

What are the key properties of 2-[2-[[4-(3-methylbutyl)-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-N-(3-methylsulfanylpropyl)-1,3-thiazole-4-carboxamide;2-[2-[[4-(3-methylbutyl)-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane?

2-[2-[[4-(3-methylbutyl)-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-N-(3-methylsulfanylpropyl)-1,3-thiazole-4-carboxamide;2-[2-[[4-(3-methylbutyl)-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane has a molecular weight of 1156.61 g/mol, XLogP of 7.77, 18 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[4-(3-methylbutyl)-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-N-(3-methylsulfanylpropyl)-1,3-thiazole-4-carboxamide;2-[2-[[4-(3-methylbutyl)-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane is sourced from PubChem (CID 160825982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).