2-[2-[[4-[(3S)-3-aminobutyl]-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-N-methyl-1,3-thiazole-4-carboxamide;bis(sulfanylidene)-λ4-sulfane;methane;N-methyl-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-carboxamide

C46H53N11O6S7 — CID 159680452

About 2-[2-[[4-[(3S)-3-aminobutyl]-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-N-methyl-1,3-thiazole-4-carboxamide;bis(sulfanylidene)-λ4-sulfane;methane;N-methyl-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-carboxamide

2-[2-[[4-[(3S)-3-aminobutyl]-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-N-methyl-1,3-thiazole-4-carboxamide;bis(sulfanylidene)-λ4-sulfane;methane;N-methyl-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-carboxamide (PubChem CID 159680452) has the molecular formula C46H53N11O6S7 and a molecular weight of 1080.47 g/mol. Its IUPAC name is 2-[2-[[4-[(3S)-3-aminobutyl]-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-N-methyl-1,3-thiazole-4-carboxamide;bis(sulfanylidene)-λ4-sulfane;methane;N-methyl-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-carboxamide.

Molecular Properties

• Compound Name: 2-[2-[[4-[(3S)-3-aminobutyl]-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-N-methyl-1,3-thiazole-4-carboxamide;bis(sulfanylidene)-λ4-sulfane;methane;N-methyl-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-carboxamide
• PubChem CID: 159680452
• Molecular Formula: C46H53N11O6S7
• Molecular Weight: 1080.47 g/mol
• Exact Mass: 1079.22
• IUPAC Name: 2-[2-[[4-[(3S)-3-aminobutyl]-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-N-methyl-1,3-thiazole-4-carboxamide;bis(sulfanylidene)-λ4-sulfane;methane;N-methyl-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-carboxamide
• SMILES: C.CNC(=O)c1csc(-c2csc(Cn3c(CCC(C)C)c4c(cc3=O)C3(CC3)NC4=O)n2)n1.CNC(=O)c1csc(-c2csc(Cn3c(CC[C@H](C)N)c4c(cc3=O)C3(CC3)NC4=O)n2)n1.S=S=S
• InChI: InChI=1S/C23H25N5O3S2.C22H24N6O3S2.CH4.S3/c1-12(2)4-5-16-19-13(23(6-7-23)27-21(19)31)8-18(29)28(16)9-17-25-15(11-32-17)22-26-14(10-33-22)20(30)24-3;1-11(23)3-4-15-18-12(22(5-6-22)27-20(18)31)7-17(29)28(15)8-16-25-14(10-32-16)21-26-13(9-33-21)19(30)24-2;;1-3-2/h8,10-12H,4-7,9H2,1-3H3,(H,24,30)(H,27,31);7,9-11H,3-6,8,23H2,1-2H3,(H,24,30)(H,27,31);1H4;/t;11-;;/m.0../s1
• InChIKey: MVDKTIRWGOOHKW-YYZIHTIRSA-N
• XLogP: 5.63
• TPSA: 237.98 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1080.47
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

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

The IUPAC name of 2-[2-[[4-[(3S)-3-aminobutyl]-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-N-methyl-1,3-thiazole-4-carboxamide;bis(sulfanylidene)-λ4-sulfane;methane;N-methyl-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-carboxamide (CID 159680452) is 2-[2-[[4-[(3S)-3-aminobutyl]-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-N-methyl-1,3-thiazole-4-carboxamide;bis(sulfanylidene)-λ4-sulfane;methane;N-methyl-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-carboxamide.

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

The canonical SMILES for 2-[2-[[4-[(3S)-3-aminobutyl]-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-N-methyl-1,3-thiazole-4-carboxamide;bis(sulfanylidene)-λ4-sulfane;methane;N-methyl-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-carboxamide is C.CNC(=O)c1csc(-c2csc(Cn3c(CCC(C)C)c4c(cc3=O)C3(CC3)NC4=O)n2)n1.CNC(=O)c1csc(-c2csc(Cn3c(CC[C@H](C)N)c4c(cc3=O)C3(CC3)NC4=O)n2)n1.S=S=S.

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

The InChIKey is MVDKTIRWGOOHKW-YYZIHTIRSA-N. The full InChI is InChI=1S/C23H25N5O3S2.C22H24N6O3S2.CH4.S3/c1-12(2)4-5-16-19-13(23(6-7-23)27-21(19)31)8-18(29)28(16)9-17-25-15(11-32-17)22-26-14(10-33-22)20(30)24-3;1-11(23)3-4-15-18-12(22(5-6-22)27-20(18)31)7-17(29)28(15)8-16-25-14(10-32-16)21-26-13(9-33-21)19(30)24-2;;1-3-2/h8,10-12H,4-7,9H2,1-3H3,(H,24,30)(H,27,31);7,9-11H,3-6,8,23H2,1-2H3,(H,24,30)(H,27,31);1H4;/t;11-;;/m.0../s1.

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

2-[2-[[4-[(3S)-3-aminobutyl]-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-N-methyl-1,3-thiazole-4-carboxamide;bis(sulfanylidene)-λ4-sulfane;methane;N-methyl-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-carboxamide has a molecular weight of 1080.47 g/mol, XLogP of 5.63, 14 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[4-[(3S)-3-aminobutyl]-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-N-methyl-1,3-thiazole-4-carboxamide;bis(sulfanylidene)-λ4-sulfane;methane;N-methyl-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-carboxamide is sourced from PubChem (CID 159680452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).