5-bromo-4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine;3,5-dimethylaniline;4-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-phenyl-1,3-thiazol-2-amine;4-(2-methylsulfanylpyrimidin-4-yl)-5-phenyl-1,3-thiazol-2-amine;4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine;4-(2-methylsulfonylpyrimidin-4-yl)-5-phenyl-1,3-thiazol-2-amine;hydrobromide

C73H70Br2N22O2S9 — CID 161276505

About 5-bromo-4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine;3,5-dimethylaniline;4-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-phenyl-1,3-thiazol-2-amine;4-(2-methylsulfanylpyrimidin-4-yl)-5-phenyl-1,3-thiazol-2-amine;4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine;4-(2-methylsulfonylpyrimidin-4-yl)-5-phenyl-1,3-thiazol-2-amine;hydrobromide

5-bromo-4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine;3,5-dimethylaniline;4-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-phenyl-1,3-thiazol-2-amine;4-(2-methylsulfanylpyrimidin-4-yl)-5-phenyl-1,3-thiazol-2-amine;4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine;4-(2-methylsulfonylpyrimidin-4-yl)-5-phenyl-1,3-thiazol-2-amine;hydrobromide (PubChem CID 161276505) has the molecular formula C73H70Br2N22O2S9 and a molecular weight of 1735.93 g/mol. Its IUPAC name is 5-bromo-4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine;3,5-dimethylaniline;4-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-phenyl-1,3-thiazol-2-amine;4-(2-methylsulfanylpyrimidin-4-yl)-5-phenyl-1,3-thiazol-2-amine;4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine;4-(2-methylsulfonylpyrimidin-4-yl)-5-phenyl-1,3-thiazol-2-amine;hydrobromide.

Molecular Properties

• Compound Name: 5-bromo-4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine;3,5-dimethylaniline;4-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-phenyl-1,3-thiazol-2-amine;4-(2-methylsulfanylpyrimidin-4-yl)-5-phenyl-1,3-thiazol-2-amine;4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine;4-(2-methylsulfonylpyrimidin-4-yl)-5-phenyl-1,3-thiazol-2-amine;hydrobromide
• PubChem CID: 161276505
• Molecular Formula: C73H70Br2N22O2S9
• Molecular Weight: 1735.93 g/mol
• Exact Mass: 1732.19
• IUPAC Name: 5-bromo-4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine;3,5-dimethylaniline;4-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-phenyl-1,3-thiazol-2-amine;4-(2-methylsulfanylpyrimidin-4-yl)-5-phenyl-1,3-thiazol-2-amine;4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine;4-(2-methylsulfonylpyrimidin-4-yl)-5-phenyl-1,3-thiazol-2-amine;hydrobromide
• SMILES: Br.CS(=O)(=O)c1nccc(-c2nc(N)sc2-c2ccccc2)n1.CSc1nccc(-c2csc(N)n2)n1.CSc1nccc(-c2nc(N)sc2-c2ccccc2)n1.CSc1nccc(-c2nc(N)sc2Br)n1.Cc1cc(C)cc(N)c1.Cc1cc(C)cc(Nc2nccc(-c3nc(N)sc3-c3ccccc3)n2)c1
• InChI: InChI=1S/C21H19N5S.C14H12N4O2S2.C14H12N4S2.C8H7BrN4S2.C8H8N4S2.C8H11N.BrH/c1-13-10-14(2)12-16(11-13)24-21-23-9-8-17(25-21)18-19(27-20(22)26-18)15-6-4-3-5-7-15;1-22(19,20)14-16-8-7-10(17-14)11-12(21-13(15)18-11)9-5-3-2-4-6-9;1-19-14-16-8-7-10(17-14)11-12(20-13(15)18-11)9-5-3-2-4-6-9;1-14-8-11-3-2-4(12-8)5-6(9)15-7(10)13-5;1-13-8-10-3-2-5(12-8)6-4-14-7(9)11-6;1-6-3-7(2)5-8(9)4-6;/h3-12H,1-2H3,(H2,22,26)(H,23,24,25);2-8H,1H3,(H2,15,18);2-8H,1H3,(H2,15,18);2-3H,1H3,(H2,10,13);2-4H,1H3,(H2,9,11);3-5H,9H2,1-2H3;1H
• InChIKey: WSVNDJOLSAHQJT-UHFFFAOYSA-N
• XLogP: 18.07
• TPSA: 395.64 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 14
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1735.93
LogP ≤ 5	18.07
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine;3,5-dimethylaniline;4-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-phenyl-1,3-thiazol-2-amine;4-(2-methylsulfanylpyrimidin-4-yl)-5-phenyl-1,3-thiazol-2-amine;4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine;4-(2-methylsulfonylpyrimidin-4-yl)-5-phenyl-1,3-thiazol-2-amine;hydrobromide?

The IUPAC name of 5-bromo-4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine;3,5-dimethylaniline;4-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-phenyl-1,3-thiazol-2-amine;4-(2-methylsulfanylpyrimidin-4-yl)-5-phenyl-1,3-thiazol-2-amine;4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine;4-(2-methylsulfonylpyrimidin-4-yl)-5-phenyl-1,3-thiazol-2-amine;hydrobromide (CID 161276505) is 5-bromo-4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine;3,5-dimethylaniline;4-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-phenyl-1,3-thiazol-2-amine;4-(2-methylsulfanylpyrimidin-4-yl)-5-phenyl-1,3-thiazol-2-amine;4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine;4-(2-methylsulfonylpyrimidin-4-yl)-5-phenyl-1,3-thiazol-2-amine;hydrobromide.

What is the SMILES notation for 5-bromo-4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine;3,5-dimethylaniline;4-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-phenyl-1,3-thiazol-2-amine;4-(2-methylsulfanylpyrimidin-4-yl)-5-phenyl-1,3-thiazol-2-amine;4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine;4-(2-methylsulfonylpyrimidin-4-yl)-5-phenyl-1,3-thiazol-2-amine;hydrobromide?

The canonical SMILES for 5-bromo-4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine;3,5-dimethylaniline;4-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-phenyl-1,3-thiazol-2-amine;4-(2-methylsulfanylpyrimidin-4-yl)-5-phenyl-1,3-thiazol-2-amine;4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine;4-(2-methylsulfonylpyrimidin-4-yl)-5-phenyl-1,3-thiazol-2-amine;hydrobromide is Br.CS(=O)(=O)c1nccc(-c2nc(N)sc2-c2ccccc2)n1.CSc1nccc(-c2csc(N)n2)n1.CSc1nccc(-c2nc(N)sc2-c2ccccc2)n1.CSc1nccc(-c2nc(N)sc2Br)n1.Cc1cc(C)cc(N)c1.Cc1cc(C)cc(Nc2nccc(-c3nc(N)sc3-c3ccccc3)n2)c1.

What is the InChIKey of 5-bromo-4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine;3,5-dimethylaniline;4-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-phenyl-1,3-thiazol-2-amine;4-(2-methylsulfanylpyrimidin-4-yl)-5-phenyl-1,3-thiazol-2-amine;4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine;4-(2-methylsulfonylpyrimidin-4-yl)-5-phenyl-1,3-thiazol-2-amine;hydrobromide?

The InChIKey is WSVNDJOLSAHQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5S.C14H12N4O2S2.C14H12N4S2.C8H7BrN4S2.C8H8N4S2.C8H11N.BrH/c1-13-10-14(2)12-16(11-13)24-21-23-9-8-17(25-21)18-19(27-20(22)26-18)15-6-4-3-5-7-15;1-22(19,20)14-16-8-7-10(17-14)11-12(21-13(15)18-11)9-5-3-2-4-6-9;1-19-14-16-8-7-10(17-14)11-12(20-13(15)18-11)9-5-3-2-4-6-9;1-14-8-11-3-2-4(12-8)5-6(9)15-7(10)13-5;1-13-8-10-3-2-5(12-8)6-4-14-7(9)11-6;1-6-3-7(2)5-8(9)4-6;/h3-12H,1-2H3,(H2,22,26)(H,23,24,25);2-8H,1H3,(H2,15,18);2-8H,1H3,(H2,15,18);2-3H,1H3,(H2,10,13);2-4H,1H3,(H2,9,11);3-5H,9H2,1-2H3;1H.

What are the key properties of 5-bromo-4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine;3,5-dimethylaniline;4-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-phenyl-1,3-thiazol-2-amine;4-(2-methylsulfanylpyrimidin-4-yl)-5-phenyl-1,3-thiazol-2-amine;4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine;4-(2-methylsulfonylpyrimidin-4-yl)-5-phenyl-1,3-thiazol-2-amine;hydrobromide?

5-bromo-4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine;3,5-dimethylaniline;4-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-phenyl-1,3-thiazol-2-amine;4-(2-methylsulfanylpyrimidin-4-yl)-5-phenyl-1,3-thiazol-2-amine;4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine;4-(2-methylsulfonylpyrimidin-4-yl)-5-phenyl-1,3-thiazol-2-amine;hydrobromide has a molecular weight of 1735.93 g/mol, XLogP of 18.07, 14 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine;3,5-dimethylaniline;4-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-phenyl-1,3-thiazol-2-amine;4-(2-methylsulfanylpyrimidin-4-yl)-5-phenyl-1,3-thiazol-2-amine;4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine;4-(2-methylsulfonylpyrimidin-4-yl)-5-phenyl-1,3-thiazol-2-amine;hydrobromide is sourced from PubChem (CID 161276505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).