N-[4-[2-(4-aminophenyl)-1,3-thiazol-5-yl]-3-(tert-butylsulfamoyl)phenyl]acetamide;4-(5-bromo-1,3-thiazol-2-yl)aniline;N-[3-(tert-butylsulfamoyl)-4-methylphenyl]acetamide;methane

C45H59BrN8O6S4 — CID 158354690

About N-[4-[2-(4-aminophenyl)-1,3-thiazol-5-yl]-3-(tert-butylsulfamoyl)phenyl]acetamide;4-(5-bromo-1,3-thiazol-2-yl)aniline;N-[3-(tert-butylsulfamoyl)-4-methylphenyl]acetamide;methane

N-[4-[2-(4-aminophenyl)-1,3-thiazol-5-yl]-3-(tert-butylsulfamoyl)phenyl]acetamide;4-(5-bromo-1,3-thiazol-2-yl)aniline;N-[3-(tert-butylsulfamoyl)-4-methylphenyl]acetamide;methane (PubChem CID 158354690) has the molecular formula C45H59BrN8O6S4 and a molecular weight of 1016.19 g/mol. Its IUPAC name is N-[4-[2-(4-aminophenyl)-1,3-thiazol-5-yl]-3-(tert-butylsulfamoyl)phenyl]acetamide;4-(5-bromo-1,3-thiazol-2-yl)aniline;N-[3-(tert-butylsulfamoyl)-4-methylphenyl]acetamide;methane.

Molecular Properties

• Compound Name: N-[4-[2-(4-aminophenyl)-1,3-thiazol-5-yl]-3-(tert-butylsulfamoyl)phenyl]acetamide;4-(5-bromo-1,3-thiazol-2-yl)aniline;N-[3-(tert-butylsulfamoyl)-4-methylphenyl]acetamide;methane
• PubChem CID: 158354690
• Molecular Formula: C45H59BrN8O6S4
• Molecular Weight: 1016.19 g/mol
• Exact Mass: 1014.26
• IUPAC Name: N-[4-[2-(4-aminophenyl)-1,3-thiazol-5-yl]-3-(tert-butylsulfamoyl)phenyl]acetamide;4-(5-bromo-1,3-thiazol-2-yl)aniline;N-[3-(tert-butylsulfamoyl)-4-methylphenyl]acetamide;methane
• SMILES: C.C.CC(=O)Nc1ccc(-c2cnc(-c3ccc(N)cc3)s2)c(S(=O)(=O)NC(C)(C)C)c1.CC(=O)Nc1ccc(C)c(S(=O)(=O)NC(C)(C)C)c1.Nc1ccc(-c2ncc(Br)s2)cc1
• InChI: InChI=1S/C21H24N4O3S2.C13H20N2O3S.C9H7BrN2S.2CH4/c1-13(26)24-16-9-10-17(19(11-16)30(27,28)25-21(2,3)4)18-12-23-20(29-18)14-5-7-15(22)8-6-14;1-9-6-7-11(14-10(2)16)8-12(9)19(17,18)15-13(3,4)5;10-8-5-12-9(13-8)6-1-3-7(11)4-2-6;;/h5-12,25H,22H2,1-4H3,(H,24,26);6-8,15H,1-5H3,(H,14,16);1-5H,11H2;2*1H4
• InChIKey: GSSVFJGQKKLQJW-UHFFFAOYSA-N
• XLogP: 10.55
• TPSA: 228.36 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1016.19
LogP ≤ 5	10.55
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-aminophenyl)-1,3-thiazol-5-yl]-3-(tert-butylsulfamoyl)phenyl]acetamide;4-(5-bromo-1,3-thiazol-2-yl)aniline;N-[3-(tert-butylsulfamoyl)-4-methylphenyl]acetamide;methane?

The IUPAC name of N-[4-[2-(4-aminophenyl)-1,3-thiazol-5-yl]-3-(tert-butylsulfamoyl)phenyl]acetamide;4-(5-bromo-1,3-thiazol-2-yl)aniline;N-[3-(tert-butylsulfamoyl)-4-methylphenyl]acetamide;methane (CID 158354690) is N-[4-[2-(4-aminophenyl)-1,3-thiazol-5-yl]-3-(tert-butylsulfamoyl)phenyl]acetamide;4-(5-bromo-1,3-thiazol-2-yl)aniline;N-[3-(tert-butylsulfamoyl)-4-methylphenyl]acetamide;methane.

What is the SMILES notation for N-[4-[2-(4-aminophenyl)-1,3-thiazol-5-yl]-3-(tert-butylsulfamoyl)phenyl]acetamide;4-(5-bromo-1,3-thiazol-2-yl)aniline;N-[3-(tert-butylsulfamoyl)-4-methylphenyl]acetamide;methane?

The canonical SMILES for N-[4-[2-(4-aminophenyl)-1,3-thiazol-5-yl]-3-(tert-butylsulfamoyl)phenyl]acetamide;4-(5-bromo-1,3-thiazol-2-yl)aniline;N-[3-(tert-butylsulfamoyl)-4-methylphenyl]acetamide;methane is C.C.CC(=O)Nc1ccc(-c2cnc(-c3ccc(N)cc3)s2)c(S(=O)(=O)NC(C)(C)C)c1.CC(=O)Nc1ccc(C)c(S(=O)(=O)NC(C)(C)C)c1.Nc1ccc(-c2ncc(Br)s2)cc1.

What is the InChIKey of N-[4-[2-(4-aminophenyl)-1,3-thiazol-5-yl]-3-(tert-butylsulfamoyl)phenyl]acetamide;4-(5-bromo-1,3-thiazol-2-yl)aniline;N-[3-(tert-butylsulfamoyl)-4-methylphenyl]acetamide;methane?

The InChIKey is GSSVFJGQKKLQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S2.C13H20N2O3S.C9H7BrN2S.2CH4/c1-13(26)24-16-9-10-17(19(11-16)30(27,28)25-21(2,3)4)18-12-23-20(29-18)14-5-7-15(22)8-6-14;1-9-6-7-11(14-10(2)16)8-12(9)19(17,18)15-13(3,4)5;10-8-5-12-9(13-8)6-1-3-7(11)4-2-6;;/h5-12,25H,22H2,1-4H3,(H,24,26);6-8,15H,1-5H3,(H,14,16);1-5H,11H2;2*1H4.

What are the key properties of N-[4-[2-(4-aminophenyl)-1,3-thiazol-5-yl]-3-(tert-butylsulfamoyl)phenyl]acetamide;4-(5-bromo-1,3-thiazol-2-yl)aniline;N-[3-(tert-butylsulfamoyl)-4-methylphenyl]acetamide;methane?

N-[4-[2-(4-aminophenyl)-1,3-thiazol-5-yl]-3-(tert-butylsulfamoyl)phenyl]acetamide;4-(5-bromo-1,3-thiazol-2-yl)aniline;N-[3-(tert-butylsulfamoyl)-4-methylphenyl]acetamide;methane has a molecular weight of 1016.19 g/mol, XLogP of 10.55, 9 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(4-aminophenyl)-1,3-thiazol-5-yl]-3-(tert-butylsulfamoyl)phenyl]acetamide;4-(5-bromo-1,3-thiazol-2-yl)aniline;N-[3-(tert-butylsulfamoyl)-4-methylphenyl]acetamide;methane is sourced from PubChem (CID 158354690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).