sodium;5-bromo-1,3-thiazol-2-amine;tert-butyl N-(4-bromo-1,3-thiazol-2-yl)carbamate;tert-butyl N-(5-bromo-1,3-thiazol-2-yl)carbamate;tert-butyl N-carbamothioylcarbamate;tert-butyl N-(4-methylsulfanyl-1,3-thiazol-2-yl)carbamate;(2-carbonochloridoylphenyl) acetate;dichloromethane;ethanol;2-hydroxy-N-(4-methylsulfonyl-1,3-thiazol-2-yl)benzamide;S-methyl 2-bromoethanethioate;4-methylsulfanyl-1,3-thiazol-2-amine;[2-[(4-methylsulfanyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(4-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;oxido formate;oxolane;thiourea;hydrobromide;hydrochloride

C96H126Br5Cl4N20NaO29S16 — CID 159356346

About sodium;5-bromo-1,3-thiazol-2-amine;tert-butyl N-(4-bromo-1,3-thiazol-2-yl)carbamate;tert-butyl N-(5-bromo-1,3-thiazol-2-yl)carbamate;tert-butyl N-carbamothioylcarbamate;tert-butyl N-(4-methylsulfanyl-1,3-thiazol-2-yl)carbamate;(2-carbonochloridoylphenyl) acetate;dichloromethane;ethanol;2-hydroxy-N-(4-methylsulfonyl-1,3-thiazol-2-yl)benzamide;S-methyl 2-bromoethanethioate;4-methylsulfanyl-1,3-thiazol-2-amine;[2-[(4-methylsulfanyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(4-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;oxido formate;oxolane;thiourea;hydrobromide;hydrochloride

sodium;5-bromo-1,3-thiazol-2-amine;tert-butyl N-(4-bromo-1,3-thiazol-2-yl)carbamate;tert-butyl N-(5-bromo-1,3-thiazol-2-yl)carbamate;tert-butyl N-carbamothioylcarbamate;tert-butyl N-(4-methylsulfanyl-1,3-thiazol-2-yl)carbamate;(2-carbonochloridoylphenyl) acetate;dichloromethane;ethanol;2-hydroxy-N-(4-methylsulfonyl-1,3-thiazol-2-yl)benzamide;S-methyl 2-bromoethanethioate;4-methylsulfanyl-1,3-thiazol-2-amine;[2-[(4-methylsulfanyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(4-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;oxido formate;oxolane;thiourea;hydrobromide;hydrochloride (PubChem CID 159356346) has the molecular formula C96H126Br5Cl4N20NaO29S16 and a molecular weight of 3101.57 g/mol. Its IUPAC name is sodium;5-bromo-1,3-thiazol-2-amine;tert-butyl N-(4-bromo-1,3-thiazol-2-yl)carbamate;tert-butyl N-(5-bromo-1,3-thiazol-2-yl)carbamate;tert-butyl N-carbamothioylcarbamate;tert-butyl N-(4-methylsulfanyl-1,3-thiazol-2-yl)carbamate;(2-carbonochloridoylphenyl) acetate;dichloromethane;ethanol;2-hydroxy-N-(4-methylsulfonyl-1,3-thiazol-2-yl)benzamide;S-methyl 2-bromoethanethioate;4-methylsulfanyl-1,3-thiazol-2-amine;[2-[(4-methylsulfanyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(4-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;oxido formate;oxolane;thiourea;hydrobromide;hydrochloride.

Molecular Properties

• Compound Name: sodium;5-bromo-1,3-thiazol-2-amine;tert-butyl N-(4-bromo-1,3-thiazol-2-yl)carbamate;tert-butyl N-(5-bromo-1,3-thiazol-2-yl)carbamate;tert-butyl N-carbamothioylcarbamate;tert-butyl N-(4-methylsulfanyl-1,3-thiazol-2-yl)carbamate;(2-carbonochloridoylphenyl) acetate;dichloromethane;ethanol;2-hydroxy-N-(4-methylsulfonyl-1,3-thiazol-2-yl)benzamide;S-methyl 2-bromoethanethioate;4-methylsulfanyl-1,3-thiazol-2-amine;[2-[(4-methylsulfanyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(4-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;oxido formate;oxolane;thiourea;hydrobromide;hydrochloride
• PubChem CID: 159356346
• Molecular Formula: C96H126Br5Cl4N20NaO29S16
• Molecular Weight: 3101.57 g/mol
• Exact Mass: 3091.91
• IUPAC Name: sodium;5-bromo-1,3-thiazol-2-amine;tert-butyl N-(4-bromo-1,3-thiazol-2-yl)carbamate;tert-butyl N-(5-bromo-1,3-thiazol-2-yl)carbamate;tert-butyl N-carbamothioylcarbamate;tert-butyl N-(4-methylsulfanyl-1,3-thiazol-2-yl)carbamate;(2-carbonochloridoylphenyl) acetate;dichloromethane;ethanol;2-hydroxy-N-(4-methylsulfonyl-1,3-thiazol-2-yl)benzamide;S-methyl 2-bromoethanethioate;4-methylsulfanyl-1,3-thiazol-2-amine;[2-[(4-methylsulfanyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(4-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;oxido formate;oxolane;thiourea;hydrobromide;hydrochloride
• SMILES: Br.C1CCOC1.CC(=O)Oc1ccccc1C(=O)Cl.CC(=O)Oc1ccccc1C(=O)Nc1nc(S(C)(=O)=O)cs1.CC(C)(C)OC(=O)NC(N)=S.CC(C)(C)OC(=O)Nc1nc(Br)cs1.CC(C)(C)OC(=O)Nc1ncc(Br)s1.CCO.CS(=O)(=O)c1csc(NC(=O)c2ccccc2O)n1.CSC(=O)CBr.CSc1csc(N)n1.CSc1csc(NC(=O)OC(C)(C)C)n1.CSc1csc(NC(=O)c2ccccc2OC(C)=O)n1.Cl.ClCCl.NC(N)=S.Nc1ncc(Br)s1.O=CO[O-].[Na+]
• InChI: InChI=1S/C13H12N2O5S2.C13H12N2O3S2.C11H10N2O4S2.C9H7ClO3.C9H14N2O2S2.2C8H11BrN2O2S.C6H12N2O2S.C4H6N2S2.C4H8O.C3H3BrN2S.C3H5BrOS.C2H6O.CH2Cl2.CH4N2S.CH2O3.BrH.ClH.Na/c1-8(16)20-10-6-4-3-5-9(10)12(17)15-13-14-11(7-21-13)22(2,18)19;1-8(16)18-10-6-4-3-5-9(10)12(17)15-13-14-11(19-2)7-20-13;1-19(16,17)9-6-18-11(12-9)13-10(15)7-4-2-3-5-8(7)14;1-6(11)13-8-5-3-2-4-7(8)9(10)12;1-9(2,3)13-8(12)11-7-10-6(14-4)5-15-7;1-8(2,3)13-7(12)11-6-10-5(9)4-14-6;1-8(2,3)13-7(12)11-6-10-4-5(9)14-6;1-6(2,3)10-5(9)8-4(7)11;1-7-3-2-8-4(5)6-3;1-2-4-5-3-1;4-2-1-6-3(5)7-2;1-6-3(5)2-4;1-2-3;2-1-3;2-1(3)4;2-1-4-3;;;/h3-7H,1-2H3,(H,14,15,17);3-7H,1-2H3,(H,14,15,17);2-6,14H,1H3,(H,12,13,15);2-5H,1H3;5H,1-4H3,(H,10,11,12);2*4H,1-3H3,(H,10,11,12);1-3H3,(H3,7,8,9,11);2H,1H3,(H2,5,6);1-4H2;1H,(H2,5,6);2H2,1H3;3H,2H2,1H3;1H2;(H4,2,3,4);1,3H;2*1H;/q;;;;;;;;;;;;;;;;;;+1/p-1
• InChIKey: BSWKBYBEGRVCGT-UHFFFAOYSA-M
• XLogP: 20.78
• TPSA: 754.21 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 53
• Rotatable Bonds: 20
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3101.57
LogP ≤ 5	20.78
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	53

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;5-bromo-1,3-thiazol-2-amine;tert-butyl N-(4-bromo-1,3-thiazol-2-yl)carbamate;tert-butyl N-(5-bromo-1,3-thiazol-2-yl)carbamate;tert-butyl N-carbamothioylcarbamate;tert-butyl N-(4-methylsulfanyl-1,3-thiazol-2-yl)carbamate;(2-carbonochloridoylphenyl) acetate;dichloromethane;ethanol;2-hydroxy-N-(4-methylsulfonyl-1,3-thiazol-2-yl)benzamide;S-methyl 2-bromoethanethioate;4-methylsulfanyl-1,3-thiazol-2-amine;[2-[(4-methylsulfanyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(4-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;oxido formate;oxolane;thiourea;hydrobromide;hydrochloride?

The IUPAC name of sodium;5-bromo-1,3-thiazol-2-amine;tert-butyl N-(4-bromo-1,3-thiazol-2-yl)carbamate;tert-butyl N-(5-bromo-1,3-thiazol-2-yl)carbamate;tert-butyl N-carbamothioylcarbamate;tert-butyl N-(4-methylsulfanyl-1,3-thiazol-2-yl)carbamate;(2-carbonochloridoylphenyl) acetate;dichloromethane;ethanol;2-hydroxy-N-(4-methylsulfonyl-1,3-thiazol-2-yl)benzamide;S-methyl 2-bromoethanethioate;4-methylsulfanyl-1,3-thiazol-2-amine;[2-[(4-methylsulfanyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(4-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;oxido formate;oxolane;thiourea;hydrobromide;hydrochloride (CID 159356346) is sodium;5-bromo-1,3-thiazol-2-amine;tert-butyl N-(4-bromo-1,3-thiazol-2-yl)carbamate;tert-butyl N-(5-bromo-1,3-thiazol-2-yl)carbamate;tert-butyl N-carbamothioylcarbamate;tert-butyl N-(4-methylsulfanyl-1,3-thiazol-2-yl)carbamate;(2-carbonochloridoylphenyl) acetate;dichloromethane;ethanol;2-hydroxy-N-(4-methylsulfonyl-1,3-thiazol-2-yl)benzamide;S-methyl 2-bromoethanethioate;4-methylsulfanyl-1,3-thiazol-2-amine;[2-[(4-methylsulfanyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(4-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;oxido formate;oxolane;thiourea;hydrobromide;hydrochloride.

What is the SMILES notation for sodium;5-bromo-1,3-thiazol-2-amine;tert-butyl N-(4-bromo-1,3-thiazol-2-yl)carbamate;tert-butyl N-(5-bromo-1,3-thiazol-2-yl)carbamate;tert-butyl N-carbamothioylcarbamate;tert-butyl N-(4-methylsulfanyl-1,3-thiazol-2-yl)carbamate;(2-carbonochloridoylphenyl) acetate;dichloromethane;ethanol;2-hydroxy-N-(4-methylsulfonyl-1,3-thiazol-2-yl)benzamide;S-methyl 2-bromoethanethioate;4-methylsulfanyl-1,3-thiazol-2-amine;[2-[(4-methylsulfanyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(4-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;oxido formate;oxolane;thiourea;hydrobromide;hydrochloride?

The canonical SMILES for sodium;5-bromo-1,3-thiazol-2-amine;tert-butyl N-(4-bromo-1,3-thiazol-2-yl)carbamate;tert-butyl N-(5-bromo-1,3-thiazol-2-yl)carbamate;tert-butyl N-carbamothioylcarbamate;tert-butyl N-(4-methylsulfanyl-1,3-thiazol-2-yl)carbamate;(2-carbonochloridoylphenyl) acetate;dichloromethane;ethanol;2-hydroxy-N-(4-methylsulfonyl-1,3-thiazol-2-yl)benzamide;S-methyl 2-bromoethanethioate;4-methylsulfanyl-1,3-thiazol-2-amine;[2-[(4-methylsulfanyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(4-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;oxido formate;oxolane;thiourea;hydrobromide;hydrochloride is Br.C1CCOC1.CC(=O)Oc1ccccc1C(=O)Cl.CC(=O)Oc1ccccc1C(=O)Nc1nc(S(C)(=O)=O)cs1.CC(C)(C)OC(=O)NC(N)=S.CC(C)(C)OC(=O)Nc1nc(Br)cs1.CC(C)(C)OC(=O)Nc1ncc(Br)s1.CCO.CS(=O)(=O)c1csc(NC(=O)c2ccccc2O)n1.CSC(=O)CBr.CSc1csc(N)n1.CSc1csc(NC(=O)OC(C)(C)C)n1.CSc1csc(NC(=O)c2ccccc2OC(C)=O)n1.Cl.ClCCl.NC(N)=S.Nc1ncc(Br)s1.O=CO[O-].[Na+].

What is the InChIKey of sodium;5-bromo-1,3-thiazol-2-amine;tert-butyl N-(4-bromo-1,3-thiazol-2-yl)carbamate;tert-butyl N-(5-bromo-1,3-thiazol-2-yl)carbamate;tert-butyl N-carbamothioylcarbamate;tert-butyl N-(4-methylsulfanyl-1,3-thiazol-2-yl)carbamate;(2-carbonochloridoylphenyl) acetate;dichloromethane;ethanol;2-hydroxy-N-(4-methylsulfonyl-1,3-thiazol-2-yl)benzamide;S-methyl 2-bromoethanethioate;4-methylsulfanyl-1,3-thiazol-2-amine;[2-[(4-methylsulfanyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(4-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;oxido formate;oxolane;thiourea;hydrobromide;hydrochloride?

The InChIKey is BSWKBYBEGRVCGT-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H12N2O5S2.C13H12N2O3S2.C11H10N2O4S2.C9H7ClO3.C9H14N2O2S2.2C8H11BrN2O2S.C6H12N2O2S.C4H6N2S2.C4H8O.C3H3BrN2S.C3H5BrOS.C2H6O.CH2Cl2.CH4N2S.CH2O3.BrH.ClH.Na/c1-8(16)20-10-6-4-3-5-9(10)12(17)15-13-14-11(7-21-13)22(2,18)19;1-8(16)18-10-6-4-3-5-9(10)12(17)15-13-14-11(19-2)7-20-13;1-19(16,17)9-6-18-11(12-9)13-10(15)7-4-2-3-5-8(7)14;1-6(11)13-8-5-3-2-4-7(8)9(10)12;1-9(2,3)13-8(12)11-7-10-6(14-4)5-15-7;1-8(2,3)13-7(12)11-6-10-5(9)4-14-6;1-8(2,3)13-7(12)11-6-10-4-5(9)14-6;1-6(2,3)10-5(9)8-4(7)11;1-7-3-2-8-4(5)6-3;1-2-4-5-3-1;4-2-1-6-3(5)7-2;1-6-3(5)2-4;1-2-3;2-1-3;2-1(3)4;2-1-4-3;;;/h3-7H,1-2H3,(H,14,15,17);3-7H,1-2H3,(H,14,15,17);2-6,14H,1H3,(H,12,13,15);2-5H,1H3;5H,1-4H3,(H,10,11,12);2*4H,1-3H3,(H,10,11,12);1-3H3,(H3,7,8,9,11);2H,1H3,(H2,5,6);1-4H2;1H,(H2,5,6);2H2,1H3;3H,2H2,1H3;1H2;(H4,2,3,4);1,3H;2*1H;/q;;;;;;;;;;;;;;;;;;+1/p-1.

What are the key properties of sodium;5-bromo-1,3-thiazol-2-amine;tert-butyl N-(4-bromo-1,3-thiazol-2-yl)carbamate;tert-butyl N-(5-bromo-1,3-thiazol-2-yl)carbamate;tert-butyl N-carbamothioylcarbamate;tert-butyl N-(4-methylsulfanyl-1,3-thiazol-2-yl)carbamate;(2-carbonochloridoylphenyl) acetate;dichloromethane;ethanol;2-hydroxy-N-(4-methylsulfonyl-1,3-thiazol-2-yl)benzamide;S-methyl 2-bromoethanethioate;4-methylsulfanyl-1,3-thiazol-2-amine;[2-[(4-methylsulfanyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(4-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;oxido formate;oxolane;thiourea;hydrobromide;hydrochloride?

sodium;5-bromo-1,3-thiazol-2-amine;tert-butyl N-(4-bromo-1,3-thiazol-2-yl)carbamate;tert-butyl N-(5-bromo-1,3-thiazol-2-yl)carbamate;tert-butyl N-carbamothioylcarbamate;tert-butyl N-(4-methylsulfanyl-1,3-thiazol-2-yl)carbamate;(2-carbonochloridoylphenyl) acetate;dichloromethane;ethanol;2-hydroxy-N-(4-methylsulfonyl-1,3-thiazol-2-yl)benzamide;S-methyl 2-bromoethanethioate;4-methylsulfanyl-1,3-thiazol-2-amine;[2-[(4-methylsulfanyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(4-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;oxido formate;oxolane;thiourea;hydrobromide;hydrochloride has a molecular weight of 3101.57 g/mol, XLogP of 20.78, 20 rotatable bonds, 14 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;5-bromo-1,3-thiazol-2-amine;tert-butyl N-(4-bromo-1,3-thiazol-2-yl)carbamate;tert-butyl N-(5-bromo-1,3-thiazol-2-yl)carbamate;tert-butyl N-carbamothioylcarbamate;tert-butyl N-(4-methylsulfanyl-1,3-thiazol-2-yl)carbamate;(2-carbonochloridoylphenyl) acetate;dichloromethane;ethanol;2-hydroxy-N-(4-methylsulfonyl-1,3-thiazol-2-yl)benzamide;S-methyl 2-bromoethanethioate;4-methylsulfanyl-1,3-thiazol-2-amine;[2-[(4-methylsulfanyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(4-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;oxido formate;oxolane;thiourea;hydrobromide;hydrochloride is sourced from PubChem (CID 159356346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).