2-(2-methoxyethylsulfanyl)-4-(3-methyl-2-propan-2-ylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine

C20H23N5OS3 — CID 142485759

About 2-(2-methoxyethylsulfanyl)-4-(3-methyl-2-propan-2-ylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine

2-(2-methoxyethylsulfanyl)-4-(3-methyl-2-propan-2-ylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine (PubChem CID 142485759) has the molecular formula C20H23N5OS3 and a molecular weight of 445.64 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfanyl)-4-(3-methyl-2-propan-2-ylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine.

Molecular Properties

• Compound Name: 2-(2-methoxyethylsulfanyl)-4-(3-methyl-2-propan-2-ylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
• PubChem CID: 142485759
• Molecular Formula: C20H23N5OS3
• Molecular Weight: 445.64 g/mol
• Exact Mass: 445.11
• IUPAC Name: 2-(2-methoxyethylsulfanyl)-4-(3-methyl-2-propan-2-ylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
• SMILES: COCCSc1sc2nc(-c3nccs3)cc(-c3cnc(C(C)C)n3C)c2c1N
• InChI: InChI=1S/C20H23N5OS3/c1-11(2)17-23-10-14(25(17)3)12-9-13(18-22-5-7-27-18)24-19-15(12)16(21)20(29-19)28-8-6-26-4/h5,7,9-11H,6,8,21H2,1-4H3
• InChIKey: ATPPBCACAZKXSE-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 78.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.64
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfanyl)-4-(3-methyl-2-propan-2-ylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?

The IUPAC name of 2-(2-methoxyethylsulfanyl)-4-(3-methyl-2-propan-2-ylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine (CID 142485759) is 2-(2-methoxyethylsulfanyl)-4-(3-methyl-2-propan-2-ylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine.

What is the SMILES notation for 2-(2-methoxyethylsulfanyl)-4-(3-methyl-2-propan-2-ylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?

The canonical SMILES for 2-(2-methoxyethylsulfanyl)-4-(3-methyl-2-propan-2-ylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine is COCCSc1sc2nc(-c3nccs3)cc(-c3cnc(C(C)C)n3C)c2c1N.

What is the InChIKey of 2-(2-methoxyethylsulfanyl)-4-(3-methyl-2-propan-2-ylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?

The InChIKey is ATPPBCACAZKXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS3/c1-11(2)17-23-10-14(25(17)3)12-9-13(18-22-5-7-27-18)24-19-15(12)16(21)20(29-19)28-8-6-26-4/h5,7,9-11H,6,8,21H2,1-4H3.

What are the key properties of 2-(2-methoxyethylsulfanyl)-4-(3-methyl-2-propan-2-ylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?

2-(2-methoxyethylsulfanyl)-4-(3-methyl-2-propan-2-ylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine has a molecular weight of 445.64 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methoxyethylsulfanyl)-4-(3-methyl-2-propan-2-ylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 142485759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).