3-amino-4-(4-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide

C24H19N5O2S2 — CID 23886209

About 3-amino-4-(4-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide

3-amino-4-(4-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23886209) has the molecular formula C24H19N5O2S2 and a molecular weight of 473.58 g/mol. Its IUPAC name is 3-amino-4-(4-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-4-(4-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 23886209
• Molecular Formula: C24H19N5O2S2
• Molecular Weight: 473.58 g/mol
• Exact Mass: 473.10
• IUPAC Name: 3-amino-4-(4-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: COc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)Nc4nnc(C)s4)c(N)c23)cc1
• InChI: InChI=1S/C24H19N5O2S2/c1-13-28-29-24(32-13)27-22(30)21-20(25)19-17(14-8-10-16(31-2)11-9-14)12-18(26-23(19)33-21)15-6-4-3-5-7-15/h3-12H,25H2,1-2H3,(H,27,29,30)
• InChIKey: AUANNOXQGICBJO-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 103.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.58
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-4-(4-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide (CID 23886209) is 3-amino-4-(4-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-4-(4-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-4-(4-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide is COc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)Nc4nnc(C)s4)c(N)c23)cc1.

What is the InChIKey of 3-amino-4-(4-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is AUANNOXQGICBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2S2/c1-13-28-29-24(32-13)27-22(30)21-20(25)19-17(14-8-10-16(31-2)11-9-14)12-18(26-23(19)33-21)15-6-4-3-5-7-15/h3-12H,25H2,1-2H3,(H,27,29,30).

What are the key properties of 3-amino-4-(4-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide?

3-amino-4-(4-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 473.58 g/mol, XLogP of 5.63, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-4-(4-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23886209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).