sodium;4-bromo-2-methyl-1,3-thiazole;5-bromo-2-methyl-1,3-thiazole;5-bromo-1,3-thiazol-2-amine;(2-carbonochloridoylphenyl) acetate;ethanethioamide;ethanol;2-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;S-methyl 2-bromoethanethioate;2-methyl-4-methylsulfanyl-1,3-thiazole;4-methylsulfanyl-1,3-thiazol-2-amine;[2-[(4-methylsulfanyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;oxido formate;oxolane;thiourea;hydrobromide;hydrochloride

C79H96Br5Cl2N16NaO19S16 — CID 158745380

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

sodium;4-bromo-2-methyl-1,3-thiazole;5-bromo-2-methyl-1,3-thiazole;5-bromo-1,3-thiazol-2-amine;(2-carbonochloridoylphenyl) acetate;ethanethioamide;ethanol;2-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;S-methyl 2-bromoethanethioate;2-methyl-4-methylsulfanyl-1,3-thiazole;4-methylsulfanyl-1,3-thiazol-2-amine;[2-[(4-methylsulfanyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;oxido formate;oxolane;thiourea;hydrobromide;hydrochloride (PubChem CID 158745380) has the molecular formula C79H96Br5Cl2N16NaO19S16 and a molecular weight of 2580.22 g/mol. Its IUPAC name is sodium;4-bromo-2-methyl-1,3-thiazole;5-bromo-2-methyl-1,3-thiazole;5-bromo-1,3-thiazol-2-amine;(2-carbonochloridoylphenyl) acetate;ethanethioamide;ethanol;2-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;S-methyl 2-bromoethanethioate;2-methyl-4-methylsulfanyl-1,3-thiazole;4-methylsulfanyl-1,3-thiazol-2-amine;[2-[(4-methylsulfanyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;oxido formate;oxolane;thiourea;hydrobromide;hydrochloride.

Molecular Properties

• Compound Name: sodium;4-bromo-2-methyl-1,3-thiazole;5-bromo-2-methyl-1,3-thiazole;5-bromo-1,3-thiazol-2-amine;(2-carbonochloridoylphenyl) acetate;ethanethioamide;ethanol;2-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;S-methyl 2-bromoethanethioate;2-methyl-4-methylsulfanyl-1,3-thiazole;4-methylsulfanyl-1,3-thiazol-2-amine;[2-[(4-methylsulfanyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;oxido formate;oxolane;thiourea;hydrobromide;hydrochloride
• PubChem CID: 158745380
• Molecular Formula: C79H96Br5Cl2N16NaO19S16
• Molecular Weight: 2580.22 g/mol
• Exact Mass: 2571.78
• IUPAC Name: sodium;4-bromo-2-methyl-1,3-thiazole;5-bromo-2-methyl-1,3-thiazole;5-bromo-1,3-thiazol-2-amine;(2-carbonochloridoylphenyl) acetate;ethanethioamide;ethanol;2-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;S-methyl 2-bromoethanethioate;2-methyl-4-methylsulfanyl-1,3-thiazole;4-methylsulfanyl-1,3-thiazol-2-amine;[2-[(4-methylsulfanyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(4-methylsulfinyl-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)cs1.CC(N)=S.CCO.CS(=O)c1csc(NC(=O)c2ccccc2O)n1.CSC(=O)CBr.CSc1csc(C)n1.CSc1csc(N)n1.CSc1csc(NC(=O)c2ccccc2OC(C)=O)n1.Cc1nc(Br)cs1.Cc1ncc(Br)s1.Cl.NC(N)=S.Nc1ncc(Br)s1.O=CO[O-].[Na+]
• InChI: InChI=1S/C13H12N2O4S2.C13H12N2O3S2.C11H10N2O3S2.C9H7ClO3.C5H7NS2.2C4H4BrNS.C4H6N2S2.C4H8O.C3H3BrN2S.C3H5BrOS.C2H5NS.C2H6O.CH4N2S.CH2O3.BrH.ClH.Na/c1-8(16)19-10-6-4-3-5-9(10)12(17)15-13-14-11(7-20-13)21(2)18;1-8(16)18-10-6-4-3-5-9(10)12(17)15-13-14-11(19-2)7-20-13;1-18(16)9-6-17-11(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;1-4-6-5(7-2)3-8-4;1-3-6-4(5)2-7-3;1-3-6-2-4(5)7-3;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)4;1-2-3;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;3H,1-2H3;2*2H,1H3;2H,1H3,(H2,5,6);1-4H2;1H,(H2,5,6);2H2,1H3;1H3,(H2,3,4);3H,2H2,1H3;(H4,2,3,4);1,3H;2*1H;/q;;;;;;;;;;;;;;;;;+1/p-1
• InChIKey: YPMCLRVDTDCJDG-UHFFFAOYSA-M
• XLogP: 16.45
• TPSA: 566.75 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 43
• Rotatable Bonds: 17
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2580.22
LogP ≤ 5	16.45
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'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'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of sodium;4-bromo-2-methyl-1,3-thiazole;5-bromo-2-methyl-1,3-thiazole;5-bromo-1,3-thiazol-2-amine;(2-carbonochloridoylphenyl) acetate;ethanethioamide;ethanol;2-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;S-methyl 2-bromoethanethioate;2-methyl-4-methylsulfanyl-1,3-thiazole;4-methylsulfanyl-1,3-thiazol-2-amine;[2-[(4-methylsulfanyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;oxido formate;oxolane;thiourea;hydrobromide;hydrochloride (CID 158745380) is sodium;4-bromo-2-methyl-1,3-thiazole;5-bromo-2-methyl-1,3-thiazole;5-bromo-1,3-thiazol-2-amine;(2-carbonochloridoylphenyl) acetate;ethanethioamide;ethanol;2-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;S-methyl 2-bromoethanethioate;2-methyl-4-methylsulfanyl-1,3-thiazole;4-methylsulfanyl-1,3-thiazol-2-amine;[2-[(4-methylsulfanyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;oxido formate;oxolane;thiourea;hydrobromide;hydrochloride.

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

The canonical SMILES for sodium;4-bromo-2-methyl-1,3-thiazole;5-bromo-2-methyl-1,3-thiazole;5-bromo-1,3-thiazol-2-amine;(2-carbonochloridoylphenyl) acetate;ethanethioamide;ethanol;2-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;S-methyl 2-bromoethanethioate;2-methyl-4-methylsulfanyl-1,3-thiazole;4-methylsulfanyl-1,3-thiazol-2-amine;[2-[(4-methylsulfanyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(4-methylsulfinyl-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)cs1.CC(N)=S.CCO.CS(=O)c1csc(NC(=O)c2ccccc2O)n1.CSC(=O)CBr.CSc1csc(C)n1.CSc1csc(N)n1.CSc1csc(NC(=O)c2ccccc2OC(C)=O)n1.Cc1nc(Br)cs1.Cc1ncc(Br)s1.Cl.NC(N)=S.Nc1ncc(Br)s1.O=CO[O-].[Na+].

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

The InChIKey is YPMCLRVDTDCJDG-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H12N2O4S2.C13H12N2O3S2.C11H10N2O3S2.C9H7ClO3.C5H7NS2.2C4H4BrNS.C4H6N2S2.C4H8O.C3H3BrN2S.C3H5BrOS.C2H5NS.C2H6O.CH4N2S.CH2O3.BrH.ClH.Na/c1-8(16)19-10-6-4-3-5-9(10)12(17)15-13-14-11(7-20-13)21(2)18;1-8(16)18-10-6-4-3-5-9(10)12(17)15-13-14-11(19-2)7-20-13;1-18(16)9-6-17-11(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;1-4-6-5(7-2)3-8-4;1-3-6-4(5)2-7-3;1-3-6-2-4(5)7-3;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)4;1-2-3;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;3H,1-2H3;2*2H,1H3;2H,1H3,(H2,5,6);1-4H2;1H,(H2,5,6);2H2,1H3;1H3,(H2,3,4);3H,2H2,1H3;(H4,2,3,4);1,3H;2*1H;/q;;;;;;;;;;;;;;;;;+1/p-1.

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

sodium;4-bromo-2-methyl-1,3-thiazole;5-bromo-2-methyl-1,3-thiazole;5-bromo-1,3-thiazol-2-amine;(2-carbonochloridoylphenyl) acetate;ethanethioamide;ethanol;2-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;S-methyl 2-bromoethanethioate;2-methyl-4-methylsulfanyl-1,3-thiazole;4-methylsulfanyl-1,3-thiazol-2-amine;[2-[(4-methylsulfanyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;oxido formate;oxolane;thiourea;hydrobromide;hydrochloride has a molecular weight of 2580.22 g/mol, XLogP of 16.45, 17 rotatable bonds, 10 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;4-bromo-2-methyl-1,3-thiazole;5-bromo-2-methyl-1,3-thiazole;5-bromo-1,3-thiazol-2-amine;(2-carbonochloridoylphenyl) acetate;ethanethioamide;ethanol;2-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;S-methyl 2-bromoethanethioate;2-methyl-4-methylsulfanyl-1,3-thiazole;4-methylsulfanyl-1,3-thiazol-2-amine;[2-[(4-methylsulfanyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;oxido formate;oxolane;thiourea;hydrobromide;hydrochloride is sourced from PubChem (CID 158745380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).