3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide

C20H20N4O2S2 — CID 23997986

About 3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23997986) has the molecular formula C20H20N4O2S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 23997986
• Molecular Formula: C20H20N4O2S2
• Molecular Weight: 412.54 g/mol
• Exact Mass: 412.10
• IUPAC Name: 3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide
• SMILES: COc1ccc2nc(NC(=O)c3sc4nc(CC(C)C)ccc4c3N)sc2c1
• InChI: InChI=1S/C20H20N4O2S2/c1-10(2)8-11-4-6-13-16(21)17(28-19(13)22-11)18(25)24-20-23-14-7-5-12(26-3)9-15(14)27-20/h4-7,9-10H,8,21H2,1-3H3,(H,23,24,25)
• InChIKey: CCGAYSTVNFUUGO-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 90.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.54
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide (CID 23997986) is 3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide.

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

The canonical SMILES for 3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide is COc1ccc2nc(NC(=O)c3sc4nc(CC(C)C)ccc4c3N)sc2c1.

What is the InChIKey of 3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is CCGAYSTVNFUUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S2/c1-10(2)8-11-4-6-13-16(21)17(28-19(13)22-11)18(25)24-20-23-14-7-5-12(26-3)9-15(14)27-20/h4-7,9-10H,8,21H2,1-3H3,(H,23,24,25).

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

3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 412.54 g/mol, XLogP of 4.95, 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-methoxy-1,3-benzothiazol-2-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23997986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).