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

C30H34BrN10NaO7S4 — CID 167667125

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

sodium;1-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-bromoethanone;4-methyl-5-[2-(4-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine;(4-nitrophenyl)thiourea;oxolane;hydroxide (PubChem CID 167667125) has the molecular formula C30H34BrN10NaO7S4 and a molecular weight of 877.83 g/mol. Its IUPAC name is sodium;1-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-bromoethanone;4-methyl-5-[2-(4-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine;(4-nitrophenyl)thiourea;oxolane;hydroxide.

Molecular Properties

• Compound Name: sodium;1-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-bromoethanone;4-methyl-5-[2-(4-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine;(4-nitrophenyl)thiourea;oxolane;hydroxide
• PubChem CID: 167667125
• Molecular Formula: C30H34BrN10NaO7S4
• Molecular Weight: 877.83 g/mol
• Exact Mass: 876.06
• IUPAC Name: sodium;1-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-bromoethanone;4-methyl-5-[2-(4-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine;(4-nitrophenyl)thiourea;oxolane;hydroxide
• SMILES: C1CCOC1.Cc1nc(N)sc1-c1csc(Nc2ccc([N+](=O)[O-])cc2)n1.Cc1nc(N)sc1C(=O)CBr.NC(=S)Nc1ccc([N+](=O)[O-])cc1.[Na+].[OH-]
• InChI: InChI=1S/C13H11N5O2S2.C7H7N3O2S.C6H7BrN2OS.C4H8O.Na.H2O/c1-7-11(22-12(14)15-7)10-6-21-13(17-10)16-8-2-4-9(5-3-8)18(19)20;8-7(13)9-5-1-3-6(4-2-5)10(11)12;1-3-5(4(10)2-7)11-6(8)9-3;1-2-4-5-3-1;;/h2-6H,1H3,(H2,14,15)(H,16,17);1-4H,(H3,8,9,13);2H2,1H3,(H2,8,9);1-4H2;;1H2/q;;;;+1;/p-1
• InChIKey: SULVOFLXWRINID-UHFFFAOYSA-M
• XLogP: 4.29
• TPSA: 283.37 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 8
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	877.83
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	5
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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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-methyl-5-[2-(4-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine;(4-nitrophenyl)thiourea;oxolane;hydroxide?

The IUPAC name of sodium;1-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-bromoethanone;4-methyl-5-[2-(4-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine;(4-nitrophenyl)thiourea;oxolane;hydroxide (CID 167667125) is sodium;1-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-bromoethanone;4-methyl-5-[2-(4-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine;(4-nitrophenyl)thiourea;oxolane;hydroxide.

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

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

The InChIKey is SULVOFLXWRINID-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H11N5O2S2.C7H7N3O2S.C6H7BrN2OS.C4H8O.Na.H2O/c1-7-11(22-12(14)15-7)10-6-21-13(17-10)16-8-2-4-9(5-3-8)18(19)20;8-7(13)9-5-1-3-6(4-2-5)10(11)12;1-3-5(4(10)2-7)11-6(8)9-3;1-2-4-5-3-1;;/h2-6H,1H3,(H2,14,15)(H,16,17);1-4H,(H3,8,9,13);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-methyl-5-[2-(4-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine;(4-nitrophenyl)thiourea;oxolane;hydroxide?

sodium;1-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-bromoethanone;4-methyl-5-[2-(4-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine;(4-nitrophenyl)thiourea;oxolane;hydroxide has a molecular weight of 877.83 g/mol, XLogP of 4.29, 8 rotatable bonds, 5 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-methyl-5-[2-(4-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine;(4-nitrophenyl)thiourea;oxolane;hydroxide is sourced from PubChem (CID 167667125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).