2-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]-4-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylic acid

C26H24N4O5S2 — CID 89179114

About 2-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]-4-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylic acid

2-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]-4-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylic acid (PubChem CID 89179114) has the molecular formula C26H24N4O5S2 and a molecular weight of 536.64 g/mol. Its IUPAC name is 2-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]-4-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylic acid.

Molecular Properties

• Compound Name: 2-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]-4-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylic acid
• PubChem CID: 89179114
• Molecular Formula: C26H24N4O5S2
• Molecular Weight: 536.64 g/mol
• Exact Mass: 536.12
• IUPAC Name: 2-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]-4-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylic acid
• SMILES: COc1ccc(C2c3sc(C(=O)Nc4cc(-c5ccsc5)ccc4N)nc3CCN2C(=O)O)cc1OC
• InChI: InChI=1S/C26H24N4O5S2/c1-34-20-6-4-15(12-21(20)35-2)22-23-18(7-9-30(22)26(32)33)29-25(37-23)24(31)28-19-11-14(3-5-17(19)27)16-8-10-36-13-16/h3-6,8,10-13,22H,7,9,27H2,1-2H3,(H,28,31)(H,32,33)
• InChIKey: GDQPSGMHLDZRFC-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 127.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.64
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]-4-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylic acid (CID 89179114) is 2-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]-4-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylic acid.

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

The canonical SMILES for 2-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]-4-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylic acid is COc1ccc(C2c3sc(C(=O)Nc4cc(-c5ccsc5)ccc4N)nc3CCN2C(=O)O)cc1OC.

What is the InChIKey of 2-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]-4-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylic acid?

The InChIKey is GDQPSGMHLDZRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O5S2/c1-34-20-6-4-15(12-21(20)35-2)22-23-18(7-9-30(22)26(32)33)29-25(37-23)24(31)28-19-11-14(3-5-17(19)27)16-8-10-36-13-16/h3-6,8,10-13,22H,7,9,27H2,1-2H3,(H,28,31)(H,32,33).

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

2-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]-4-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylic acid has a molecular weight of 536.64 g/mol, XLogP of 5.35, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]-4-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 89179114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).