bismuth;3-[[2-(hydrazinylmethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N'-sulfamoylpropanimidamide;2-hydroxypropane-1,2,3-tricarboxylate

C14H20BiN7O9S3 — CID 159448280

About bismuth;3-[[2-(hydrazinylmethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N'-sulfamoylpropanimidamide;2-hydroxypropane-1,2,3-tricarboxylate

bismuth;3-[[2-(hydrazinylmethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N'-sulfamoylpropanimidamide;2-hydroxypropane-1,2,3-tricarboxylate (PubChem CID 159448280) has the molecular formula C14H20BiN7O9S3 and a molecular weight of 735.53 g/mol. Its IUPAC name is bismuth;3-[[2-(hydrazinylmethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N'-sulfamoylpropanimidamide;2-hydroxypropane-1,2,3-tricarboxylate.

Molecular Properties

• Compound Name: bismuth;3-[[2-(hydrazinylmethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N'-sulfamoylpropanimidamide;2-hydroxypropane-1,2,3-tricarboxylate
• PubChem CID: 159448280
• Molecular Formula: C14H20BiN7O9S3
• Molecular Weight: 735.53 g/mol
• Exact Mass: 735.03
• IUPAC Name: bismuth;3-[[2-(hydrazinylmethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N'-sulfamoylpropanimidamide;2-hydroxypropane-1,2,3-tricarboxylate
• SMILES: NNC=Nc1nc(CSCCC(N)=NS(N)(=O)=O)cs1.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Bi+3]
• InChI: InChI=1S/C8H15N7O2S3.C6H8O7.Bi/c9-7(15-20(11,16)17)1-2-18-3-6-4-19-8(14-6)12-5-13-10;7-3(8)1-6(13,5(11)12)2-4(9)10;/h4-5H,1-3,10H2,(H2,9,15)(H2,11,16,17)(H,12,13,14);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;;+3/p-3
• InChIKey: LTAQOGDTYLGSOF-UHFFFAOYSA-K
• XLogP: -6.18
• TPSA: 302.46 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 13
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	735.53
LogP ≤ 5	-6.18
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bismuth;3-[[2-(hydrazinylmethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N'-sulfamoylpropanimidamide;2-hydroxypropane-1,2,3-tricarboxylate?

The IUPAC name of bismuth;3-[[2-(hydrazinylmethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N'-sulfamoylpropanimidamide;2-hydroxypropane-1,2,3-tricarboxylate (CID 159448280) is bismuth;3-[[2-(hydrazinylmethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N'-sulfamoylpropanimidamide;2-hydroxypropane-1,2,3-tricarboxylate.

What is the SMILES notation for bismuth;3-[[2-(hydrazinylmethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N'-sulfamoylpropanimidamide;2-hydroxypropane-1,2,3-tricarboxylate?

The canonical SMILES for bismuth;3-[[2-(hydrazinylmethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N'-sulfamoylpropanimidamide;2-hydroxypropane-1,2,3-tricarboxylate is NNC=Nc1nc(CSCCC(N)=NS(N)(=O)=O)cs1.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Bi+3].

What is the InChIKey of bismuth;3-[[2-(hydrazinylmethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N'-sulfamoylpropanimidamide;2-hydroxypropane-1,2,3-tricarboxylate?

The InChIKey is LTAQOGDTYLGSOF-UHFFFAOYSA-K. The full InChI is InChI=1S/C8H15N7O2S3.C6H8O7.Bi/c9-7(15-20(11,16)17)1-2-18-3-6-4-19-8(14-6)12-5-13-10;7-3(8)1-6(13,5(11)12)2-4(9)10;/h4-5H,1-3,10H2,(H2,9,15)(H2,11,16,17)(H,12,13,14);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;;+3/p-3.

What are the key properties of bismuth;3-[[2-(hydrazinylmethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N'-sulfamoylpropanimidamide;2-hydroxypropane-1,2,3-tricarboxylate?

bismuth;3-[[2-(hydrazinylmethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N'-sulfamoylpropanimidamide;2-hydroxypropane-1,2,3-tricarboxylate has a molecular weight of 735.53 g/mol, XLogP of -6.18, 13 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for bismuth;3-[[2-(hydrazinylmethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N'-sulfamoylpropanimidamide;2-hydroxypropane-1,2,3-tricarboxylate is sourced from PubChem (CID 159448280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).