3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide

C20H20N4O2S2 — CID 23970201

About 3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23970201) has the molecular formula C20H20N4O2S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 23970201
• Molecular Formula: C20H20N4O2S2
• Molecular Weight: 412.54 g/mol
• Exact Mass: 412.10
• IUPAC Name: 3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: CCOc1ccc2nc(NC(=O)c3sc4nc(C(C)C)ccc4c3N)sc2c1
• InChI: InChI=1S/C20H20N4O2S2/c1-4-26-11-5-7-14-15(9-11)27-20(23-14)24-18(25)17-16(21)12-6-8-13(10(2)3)22-19(12)28-17/h5-10H,4,21H2,1-3H3,(H,23,24,25)
• InChIKey: QLABBEFZOHVFCF-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 90.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	412.54
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide (CID 23970201) is 3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide is CCOc1ccc2nc(NC(=O)c3sc4nc(C(C)C)ccc4c3N)sc2c1.

What is the InChIKey of 3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is QLABBEFZOHVFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S2/c1-4-26-11-5-7-14-15(9-11)27-20(23-14)24-18(25)17-16(21)12-6-8-13(10(2)3)22-19(12)28-17/h5-10H,4,21H2,1-3H3,(H,23,24,25).

What are the key properties of 3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?

3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 412.54 g/mol, XLogP of 5.26, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23970201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).