sodium;1-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-bromoethanone;4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;oxolane;(4-sulfamoylphenyl)thiourea;hydroxide

C30H38BrN10NaO7S6 — CID 167708911

About sodium;1-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-bromoethanone;4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;oxolane;(4-sulfamoylphenyl)thiourea;hydroxide

sodium;1-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-bromoethanone;4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;oxolane;(4-sulfamoylphenyl)thiourea;hydroxide (PubChem CID 167708911) has the molecular formula C30H38BrN10NaO7S6 and a molecular weight of 945.99 g/mol. Its IUPAC name is sodium;1-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-bromoethanone;4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;oxolane;(4-sulfamoylphenyl)thiourea;hydroxide.

Molecular Properties

• Compound Name: sodium;1-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-bromoethanone;4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;oxolane;(4-sulfamoylphenyl)thiourea;hydroxide
• PubChem CID: 167708911
• Molecular Formula: C30H38BrN10NaO7S6
• Molecular Weight: 945.99 g/mol
• Exact Mass: 944.03
• IUPAC Name: sodium;1-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-bromoethanone;4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;oxolane;(4-sulfamoylphenyl)thiourea;hydroxide
• SMILES: C1CCOC1.Cc1nc(N)sc1-c1csc(Nc2ccc(S(N)(=O)=O)cc2)n1.Cc1nc(N)sc1C(=O)CBr.NC(=S)Nc1ccc(S(N)(=O)=O)cc1.[Na+].[OH-]
• InChI: InChI=1S/C13H13N5O2S3.C7H9N3O2S2.C6H7BrN2OS.C4H8O.Na.H2O/c1-7-11(22-12(14)16-7)10-6-21-13(18-10)17-8-2-4-9(5-3-8)23(15,19)20;8-7(13)10-5-1-3-6(4-2-5)14(9,11)12;1-3-5(4(10)2-7)11-6(8)9-3;1-2-4-5-3-1;;/h2-6H,1H3,(H2,14,16)(H,17,18)(H2,15,19,20);1-4H,(H3,8,10,13)(H2,9,11,12);2H2,1H3,(H2,8,9);1-4H2;;1H2/q;;;;+1;/p-1
• InChIKey: ZNISUYBUNGOXBQ-UHFFFAOYSA-M
• XLogP: 1.77
• TPSA: 317.41 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 8
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	945.99
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiazole_amine_A(4)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;1-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-bromoethanone;4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;oxolane;(4-sulfamoylphenyl)thiourea;hydroxide?

The IUPAC name of sodium;1-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-bromoethanone;4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;oxolane;(4-sulfamoylphenyl)thiourea;hydroxide (CID 167708911) is sodium;1-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-bromoethanone;4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;oxolane;(4-sulfamoylphenyl)thiourea;hydroxide.

What is the SMILES notation for sodium;1-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-bromoethanone;4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;oxolane;(4-sulfamoylphenyl)thiourea;hydroxide?

The canonical SMILES for sodium;1-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-bromoethanone;4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;oxolane;(4-sulfamoylphenyl)thiourea;hydroxide is C1CCOC1.Cc1nc(N)sc1-c1csc(Nc2ccc(S(N)(=O)=O)cc2)n1.Cc1nc(N)sc1C(=O)CBr.NC(=S)Nc1ccc(S(N)(=O)=O)cc1.[Na+].[OH-].

What is the InChIKey of sodium;1-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-bromoethanone;4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;oxolane;(4-sulfamoylphenyl)thiourea;hydroxide?

The InChIKey is ZNISUYBUNGOXBQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H13N5O2S3.C7H9N3O2S2.C6H7BrN2OS.C4H8O.Na.H2O/c1-7-11(22-12(14)16-7)10-6-21-13(18-10)17-8-2-4-9(5-3-8)23(15,19)20;8-7(13)10-5-1-3-6(4-2-5)14(9,11)12;1-3-5(4(10)2-7)11-6(8)9-3;1-2-4-5-3-1;;/h2-6H,1H3,(H2,14,16)(H,17,18)(H2,15,19,20);1-4H,(H3,8,10,13)(H2,9,11,12);2H2,1H3,(H2,8,9);1-4H2;;1H2/q;;;;+1;/p-1.

What are the key properties of sodium;1-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-bromoethanone;4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;oxolane;(4-sulfamoylphenyl)thiourea;hydroxide?

sodium;1-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-bromoethanone;4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;oxolane;(4-sulfamoylphenyl)thiourea;hydroxide has a molecular weight of 945.99 g/mol, XLogP of 1.77, 8 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;1-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-bromoethanone;4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;oxolane;(4-sulfamoylphenyl)thiourea;hydroxide is sourced from PubChem (CID 167708911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).