N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;methyl 3-bromobenzoate;methyl 3-thiophen-3-ylbenzoate;N-[2-methyl-5-[(3-thiophen-3-ylbenzoyl)amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride

C59H48BrClN8O7S4 — CID 160600075

About N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;methyl 3-bromobenzoate;methyl 3-thiophen-3-ylbenzoate;N-[2-methyl-5-[(3-thiophen-3-ylbenzoyl)amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride

N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;methyl 3-bromobenzoate;methyl 3-thiophen-3-ylbenzoate;N-[2-methyl-5-[(3-thiophen-3-ylbenzoyl)amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride (PubChem CID 160600075) has the molecular formula C59H48BrClN8O7S4 and a molecular weight of 1224.71 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;methyl 3-bromobenzoate;methyl 3-thiophen-3-ylbenzoate;N-[2-methyl-5-[(3-thiophen-3-ylbenzoyl)amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;methyl 3-bromobenzoate;methyl 3-thiophen-3-ylbenzoate;N-[2-methyl-5-[(3-thiophen-3-ylbenzoyl)amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride
• PubChem CID: 160600075
• Molecular Formula: C59H48BrClN8O7S4
• Molecular Weight: 1224.71 g/mol
• Exact Mass: 1222.14
• IUPAC Name: N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;methyl 3-bromobenzoate;methyl 3-thiophen-3-ylbenzoate;N-[2-methyl-5-[(3-thiophen-3-ylbenzoyl)amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride
• SMILES: COC(=O)c1cccc(-c2ccsc2)c1.COC(=O)c1cccc(Br)c1.Cc1ccc(N)cc1NC(=O)c1cc2nccnc2s1.Cc1ccc(NC(=O)c2cccc(-c3ccsc3)c2)cc1NC(=O)c1cc2nccnc2s1.Cl
• InChI: InChI=1S/C25H18N4O2S2.C14H12N4OS.C12H10O2S.C8H7BrO2.ClH/c1-15-5-6-19(28-23(30)17-4-2-3-16(11-17)18-7-10-32-14-18)12-20(15)29-24(31)22-13-21-25(33-22)27-9-8-26-21;1-8-2-3-9(15)6-10(8)18-13(19)12-7-11-14(20-12)17-5-4-16-11;1-14-12(13)10-4-2-3-9(7-10)11-5-6-15-8-11;1-11-8(10)6-3-2-4-7(9)5-6;/h2-14H,1H3,(H,28,30)(H,29,31);2-7H,15H2,1H3,(H,18,19);2-8H,1H3;2-5H,1H3;1H
• InChIKey: FZRYEVNOPPAFGZ-UHFFFAOYSA-N
• XLogP: 14.93
• TPSA: 217.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1224.71
LogP ≤ 5	14.93
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;methyl 3-bromobenzoate;methyl 3-thiophen-3-ylbenzoate;N-[2-methyl-5-[(3-thiophen-3-ylbenzoyl)amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride?

The IUPAC name of N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;methyl 3-bromobenzoate;methyl 3-thiophen-3-ylbenzoate;N-[2-methyl-5-[(3-thiophen-3-ylbenzoyl)amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride (CID 160600075) is N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;methyl 3-bromobenzoate;methyl 3-thiophen-3-ylbenzoate;N-[2-methyl-5-[(3-thiophen-3-ylbenzoyl)amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride.

What is the SMILES notation for N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;methyl 3-bromobenzoate;methyl 3-thiophen-3-ylbenzoate;N-[2-methyl-5-[(3-thiophen-3-ylbenzoyl)amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride?

The canonical SMILES for N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;methyl 3-bromobenzoate;methyl 3-thiophen-3-ylbenzoate;N-[2-methyl-5-[(3-thiophen-3-ylbenzoyl)amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride is COC(=O)c1cccc(-c2ccsc2)c1.COC(=O)c1cccc(Br)c1.Cc1ccc(N)cc1NC(=O)c1cc2nccnc2s1.Cc1ccc(NC(=O)c2cccc(-c3ccsc3)c2)cc1NC(=O)c1cc2nccnc2s1.Cl.

What is the InChIKey of N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;methyl 3-bromobenzoate;methyl 3-thiophen-3-ylbenzoate;N-[2-methyl-5-[(3-thiophen-3-ylbenzoyl)amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride?

The InChIKey is FZRYEVNOPPAFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4O2S2.C14H12N4OS.C12H10O2S.C8H7BrO2.ClH/c1-15-5-6-19(28-23(30)17-4-2-3-16(11-17)18-7-10-32-14-18)12-20(15)29-24(31)22-13-21-25(33-22)27-9-8-26-21;1-8-2-3-9(15)6-10(8)18-13(19)12-7-11-14(20-12)17-5-4-16-11;1-14-12(13)10-4-2-3-9(7-10)11-5-6-15-8-11;1-11-8(10)6-3-2-4-7(9)5-6;/h2-14H,1H3,(H,28,30)(H,29,31);2-7H,15H2,1H3,(H,18,19);2-8H,1H3;2-5H,1H3;1H.

What are the key properties of N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;methyl 3-bromobenzoate;methyl 3-thiophen-3-ylbenzoate;N-[2-methyl-5-[(3-thiophen-3-ylbenzoyl)amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride?

N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;methyl 3-bromobenzoate;methyl 3-thiophen-3-ylbenzoate;N-[2-methyl-5-[(3-thiophen-3-ylbenzoyl)amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride has a molecular weight of 1224.71 g/mol, XLogP of 14.93, 10 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;methyl 3-bromobenzoate;methyl 3-thiophen-3-ylbenzoate;N-[2-methyl-5-[(3-thiophen-3-ylbenzoyl)amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride is sourced from PubChem (CID 160600075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).