2-N-(2-amino-5-thiophen-3-ylphenyl)-5-N-(4-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide

C25H23N5O3S2 — CID 66865016

About 2-N-(2-amino-5-thiophen-3-ylphenyl)-5-N-(4-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide

2-N-(2-amino-5-thiophen-3-ylphenyl)-5-N-(4-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide (PubChem CID 66865016) has the molecular formula C25H23N5O3S2 and a molecular weight of 505.63 g/mol. Its IUPAC name is 2-N-(2-amino-5-thiophen-3-ylphenyl)-5-N-(4-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide.

Molecular Properties

• Compound Name: 2-N-(2-amino-5-thiophen-3-ylphenyl)-5-N-(4-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide
• PubChem CID: 66865016
• Molecular Formula: C25H23N5O3S2
• Molecular Weight: 505.63 g/mol
• Exact Mass: 505.12
• IUPAC Name: 2-N-(2-amino-5-thiophen-3-ylphenyl)-5-N-(4-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide
• SMILES: COc1ccc(NC(=O)N2CCc3nc(C(=O)Nc4cc(-c5ccsc5)ccc4N)sc3C2)cc1
• InChI: InChI=1S/C25H23N5O3S2/c1-33-18-5-3-17(4-6-18)27-25(32)30-10-8-20-22(13-30)35-24(29-20)23(31)28-21-12-15(2-7-19(21)26)16-9-11-34-14-16/h2-7,9,11-12,14H,8,10,13,26H2,1H3,(H,27,32)(H,28,31)
• InChIKey: VXZINQCZGOOIFZ-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 109.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.63
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-amino-5-thiophen-3-ylphenyl)-5-N-(4-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide?

The IUPAC name of 2-N-(2-amino-5-thiophen-3-ylphenyl)-5-N-(4-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide (CID 66865016) is 2-N-(2-amino-5-thiophen-3-ylphenyl)-5-N-(4-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide.

What is the SMILES notation for 2-N-(2-amino-5-thiophen-3-ylphenyl)-5-N-(4-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide?

The canonical SMILES for 2-N-(2-amino-5-thiophen-3-ylphenyl)-5-N-(4-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide is COc1ccc(NC(=O)N2CCc3nc(C(=O)Nc4cc(-c5ccsc5)ccc4N)sc3C2)cc1.

What is the InChIKey of 2-N-(2-amino-5-thiophen-3-ylphenyl)-5-N-(4-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide?

The InChIKey is VXZINQCZGOOIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3S2/c1-33-18-5-3-17(4-6-18)27-25(32)30-10-8-20-22(13-30)35-24(29-20)23(31)28-21-12-15(2-7-19(21)26)16-9-11-34-14-16/h2-7,9,11-12,14H,8,10,13,26H2,1H3,(H,27,32)(H,28,31).

What are the key properties of 2-N-(2-amino-5-thiophen-3-ylphenyl)-5-N-(4-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide?

2-N-(2-amino-5-thiophen-3-ylphenyl)-5-N-(4-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide has a molecular weight of 505.63 g/mol, XLogP of 5.30, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(2-amino-5-thiophen-3-ylphenyl)-5-N-(4-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide is sourced from PubChem (CID 66865016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).