6-amino-11-benzyl-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-11-methyl-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;2-cyanoethanethioamide;(E)-2-cyano-3-thiophen-2-ylprop-2-enethioamide;4-methylmorpholine;1-methylpyrrolidin-3-one;6-methyl-2-sulfanylidene-4-thiophen-2-yl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridine-3-carbonitrile;thiophene-2-carbaldehyde

C89H89N21O6S12 — CID 160996573

About 6-amino-11-benzyl-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-11-methyl-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;2-cyanoethanethioamide;(E)-2-cyano-3-thiophen-2-ylprop-2-enethioamide;4-methylmorpholine;1-methylpyrrolidin-3-one;6-methyl-2-sulfanylidene-4-thiophen-2-yl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridine-3-carbonitrile;thiophene-2-carbaldehyde

6-amino-11-benzyl-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-11-methyl-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;2-cyanoethanethioamide;(E)-2-cyano-3-thiophen-2-ylprop-2-enethioamide;4-methylmorpholine;1-methylpyrrolidin-3-one;6-methyl-2-sulfanylidene-4-thiophen-2-yl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridine-3-carbonitrile;thiophene-2-carbaldehyde (PubChem CID 160996573) has the molecular formula C89H89N21O6S12 and a molecular weight of 1933.64 g/mol. Its IUPAC name is 6-amino-11-benzyl-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-11-methyl-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;2-cyanoethanethioamide;(E)-2-cyano-3-thiophen-2-ylprop-2-enethioamide;4-methylmorpholine;1-methylpyrrolidin-3-one;6-methyl-2-sulfanylidene-4-thiophen-2-yl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridine-3-carbonitrile;thiophene-2-carbaldehyde.

Molecular Properties

• Compound Name: 6-amino-11-benzyl-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-11-methyl-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;2-cyanoethanethioamide;(E)-2-cyano-3-thiophen-2-ylprop-2-enethioamide;4-methylmorpholine;1-methylpyrrolidin-3-one;6-methyl-2-sulfanylidene-4-thiophen-2-yl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridine-3-carbonitrile;thiophene-2-carbaldehyde
• PubChem CID: 160996573
• Molecular Formula: C89H89N21O6S12
• Molecular Weight: 1933.64 g/mol
• Exact Mass: 1931.40
• IUPAC Name: 6-amino-11-benzyl-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-11-methyl-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;2-cyanoethanethioamide;(E)-2-cyano-3-thiophen-2-ylprop-2-enethioamide;4-methylmorpholine;1-methylpyrrolidin-3-one;6-methyl-2-sulfanylidene-4-thiophen-2-yl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridine-3-carbonitrile;thiophene-2-carbaldehyde
• SMILES: CN1CCC(=O)C1.CN1CCOCC1.CN1Cc2[nH]c(=S)c(C#N)c(-c3cccs3)c2C1.CN1Cc2nc3sc(C(N)=O)c(N)c3c(-c3cccs3)c2C1.N#C/C(=C\c1cccs1)C(N)=S.N#CCC(N)=S.NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CN(Cc1ccccc1)C3.NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CNC3.O=Cc1cccs1
• InChI: InChI=1S/C21H18N4OS2.C15H14N4OS2.C14H12N4OS2.C13H11N3S2.C8H6N2S2.C5H11NO.C5H9NO.C5H4OS.C3H4N2S/c22-18-17-16(15-7-4-8-27-15)13-10-25(9-12-5-2-1-3-6-12)11-14(13)24-21(17)28-19(18)20(23)26;1-19-5-7-8(6-19)18-15-11(10(7)9-3-2-4-21-9)12(16)13(22-15)14(17)20;15-11-10-9(8-2-1-3-20-8)6-4-17-5-7(6)18-14(10)21-12(11)13(16)19;1-16-6-9-10(7-16)15-13(17)8(5-14)12(9)11-3-2-4-18-11;9-5-6(8(10)11)4-7-2-1-3-12-7;1-6-2-4-7-5-3-6;1-6-3-2-5(7)4-6;6-4-5-2-1-3-7-5;4-2-1-3(5)6/h1-8H,9-11,22H2,(H2,23,26);2-4H,5-6,16H2,1H3,(H2,17,20);1-3,17H,4-5,15H2,(H2,16,19);2-4H,6-7H2,1H3,(H,15,17);1-4H,(H2,10,11);2-5H2,1H3;2-4H2,1H3;1-4H;1H2,(H2,5,6)/b;;;;6-4+
• InChIKey: TVIDCJOWRKWNNB-SXYRVDFXSA-N
• XLogP: 16.00
• TPSA: 456.80 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 33
• Rotatable Bonds: 13
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1933.64
LogP ≤ 5	16.00
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cyano_pyridone_A(54)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-amino-11-benzyl-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-11-methyl-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;2-cyanoethanethioamide;(E)-2-cyano-3-thiophen-2-ylprop-2-enethioamide;4-methylmorpholine;1-methylpyrrolidin-3-one;6-methyl-2-sulfanylidene-4-thiophen-2-yl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridine-3-carbonitrile;thiophene-2-carbaldehyde?

The IUPAC name of 6-amino-11-benzyl-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-11-methyl-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;2-cyanoethanethioamide;(E)-2-cyano-3-thiophen-2-ylprop-2-enethioamide;4-methylmorpholine;1-methylpyrrolidin-3-one;6-methyl-2-sulfanylidene-4-thiophen-2-yl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridine-3-carbonitrile;thiophene-2-carbaldehyde (CID 160996573) is 6-amino-11-benzyl-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-11-methyl-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;2-cyanoethanethioamide;(E)-2-cyano-3-thiophen-2-ylprop-2-enethioamide;4-methylmorpholine;1-methylpyrrolidin-3-one;6-methyl-2-sulfanylidene-4-thiophen-2-yl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridine-3-carbonitrile;thiophene-2-carbaldehyde.

What is the SMILES notation for 6-amino-11-benzyl-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-11-methyl-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;2-cyanoethanethioamide;(E)-2-cyano-3-thiophen-2-ylprop-2-enethioamide;4-methylmorpholine;1-methylpyrrolidin-3-one;6-methyl-2-sulfanylidene-4-thiophen-2-yl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridine-3-carbonitrile;thiophene-2-carbaldehyde?

The canonical SMILES for 6-amino-11-benzyl-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-11-methyl-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;2-cyanoethanethioamide;(E)-2-cyano-3-thiophen-2-ylprop-2-enethioamide;4-methylmorpholine;1-methylpyrrolidin-3-one;6-methyl-2-sulfanylidene-4-thiophen-2-yl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridine-3-carbonitrile;thiophene-2-carbaldehyde is CN1CCC(=O)C1.CN1CCOCC1.CN1Cc2[nH]c(=S)c(C#N)c(-c3cccs3)c2C1.CN1Cc2nc3sc(C(N)=O)c(N)c3c(-c3cccs3)c2C1.N#C/C(=C\c1cccs1)C(N)=S.N#CCC(N)=S.NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CN(Cc1ccccc1)C3.NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CNC3.O=Cc1cccs1.

What is the InChIKey of 6-amino-11-benzyl-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-11-methyl-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;2-cyanoethanethioamide;(E)-2-cyano-3-thiophen-2-ylprop-2-enethioamide;4-methylmorpholine;1-methylpyrrolidin-3-one;6-methyl-2-sulfanylidene-4-thiophen-2-yl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridine-3-carbonitrile;thiophene-2-carbaldehyde?

The InChIKey is TVIDCJOWRKWNNB-SXYRVDFXSA-N. The full InChI is InChI=1S/C21H18N4OS2.C15H14N4OS2.C14H12N4OS2.C13H11N3S2.C8H6N2S2.C5H11NO.C5H9NO.C5H4OS.C3H4N2S/c22-18-17-16(15-7-4-8-27-15)13-10-25(9-12-5-2-1-3-6-12)11-14(13)24-21(17)28-19(18)20(23)26;1-19-5-7-8(6-19)18-15-11(10(7)9-3-2-4-21-9)12(16)13(22-15)14(17)20;15-11-10-9(8-2-1-3-20-8)6-4-17-5-7(6)18-14(10)21-12(11)13(16)19;1-16-6-9-10(7-16)15-13(17)8(5-14)12(9)11-3-2-4-18-11;9-5-6(8(10)11)4-7-2-1-3-12-7;1-6-2-4-7-5-3-6;1-6-3-2-5(7)4-6;6-4-5-2-1-3-7-5;4-2-1-3(5)6/h1-8H,9-11,22H2,(H2,23,26);2-4H,5-6,16H2,1H3,(H2,17,20);1-3,17H,4-5,15H2,(H2,16,19);2-4H,6-7H2,1H3,(H,15,17);1-4H,(H2,10,11);2-5H2,1H3;2-4H2,1H3;1-4H;1H2,(H2,5,6)/b;;;;6-4+;;;;.

What are the key properties of 6-amino-11-benzyl-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-11-methyl-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;2-cyanoethanethioamide;(E)-2-cyano-3-thiophen-2-ylprop-2-enethioamide;4-methylmorpholine;1-methylpyrrolidin-3-one;6-methyl-2-sulfanylidene-4-thiophen-2-yl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridine-3-carbonitrile;thiophene-2-carbaldehyde?

6-amino-11-benzyl-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-11-methyl-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;2-cyanoethanethioamide;(E)-2-cyano-3-thiophen-2-ylprop-2-enethioamide;4-methylmorpholine;1-methylpyrrolidin-3-one;6-methyl-2-sulfanylidene-4-thiophen-2-yl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridine-3-carbonitrile;thiophene-2-carbaldehyde has a molecular weight of 1933.64 g/mol, XLogP of 16.00, 13 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-11-benzyl-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-11-methyl-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;2-cyanoethanethioamide;(E)-2-cyano-3-thiophen-2-ylprop-2-enethioamide;4-methylmorpholine;1-methylpyrrolidin-3-one;6-methyl-2-sulfanylidene-4-thiophen-2-yl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridine-3-carbonitrile;thiophene-2-carbaldehyde is sourced from PubChem (CID 160996573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).