N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-6-carboxamide

C24H26N4O3S2 — CID 29069356

About N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-6-carboxamide

N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 29069356) has the molecular formula C24H26N4O3S2 and a molecular weight of 482.63 g/mol. Its IUPAC name is N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

• Compound Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-6-carboxamide
• PubChem CID: 29069356
• Molecular Formula: C24H26N4O3S2
• Molecular Weight: 482.63 g/mol
• Exact Mass: 482.14
• IUPAC Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-6-carboxamide
• SMILES: CCOc1cccc2sc(N(CCCN3CCOCC3)C(=O)c3ccc4ncsc4c3)nc12
• InChI: InChI=1S/C24H26N4O3S2/c1-2-31-19-5-3-6-20-22(19)26-24(33-20)28(10-4-9-27-11-13-30-14-12-27)23(29)17-7-8-18-21(15-17)32-16-25-18/h3,5-8,15-16H,2,4,9-14H2,1H3
• InChIKey: ZGXKEPJRYFCQQL-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 67.79 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.63
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-6-carboxamide?

The IUPAC name of N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-6-carboxamide (CID 29069356) is N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-6-carboxamide.

What is the SMILES notation for N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-6-carboxamide?

The canonical SMILES for N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-6-carboxamide is CCOc1cccc2sc(N(CCCN3CCOCC3)C(=O)c3ccc4ncsc4c3)nc12.

What is the InChIKey of N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-6-carboxamide?

The InChIKey is ZGXKEPJRYFCQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S2/c1-2-31-19-5-3-6-20-22(19)26-24(33-20)28(10-4-9-27-11-13-30-14-12-27)23(29)17-7-8-18-21(15-17)32-16-25-18/h3,5-8,15-16H,2,4,9-14H2,1H3.

What are the key properties of N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-6-carboxamide?

N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 482.63 g/mol, XLogP of 4.67, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 29069356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).