N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)quinoxaline-2-carboxamide

C24H27N5O2S — CID 43961888

About N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)quinoxaline-2-carboxamide

N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)quinoxaline-2-carboxamide (PubChem CID 43961888) has the molecular formula C24H27N5O2S and a molecular weight of 449.58 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)quinoxaline-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)quinoxaline-2-carboxamide
• PubChem CID: 43961888
• Molecular Formula: C24H27N5O2S
• Molecular Weight: 449.58 g/mol
• Exact Mass: 449.19
• IUPAC Name: N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)quinoxaline-2-carboxamide
• SMILES: CCOc1ccc2nc(N(CCN(CC)CC)C(=O)c3cnc4ccccc4n3)sc2c1
• InChI: InChI=1S/C24H27N5O2S/c1-4-28(5-2)13-14-29(23(30)21-16-25-18-9-7-8-10-19(18)26-21)24-27-20-12-11-17(31-6-3)15-22(20)32-24/h7-12,15-16H,4-6,13-14H2,1-3H3
• InChIKey: ORARYDMYBSRSAK-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 71.45 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.58
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)quinoxaline-2-carboxamide?

The IUPAC name of N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)quinoxaline-2-carboxamide (CID 43961888) is N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)quinoxaline-2-carboxamide.

What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)quinoxaline-2-carboxamide?

The canonical SMILES for N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)quinoxaline-2-carboxamide is CCOc1ccc2nc(N(CCN(CC)CC)C(=O)c3cnc4ccccc4n3)sc2c1.

What is the InChIKey of N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)quinoxaline-2-carboxamide?

The InChIKey is ORARYDMYBSRSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2S/c1-4-28(5-2)13-14-29(23(30)21-16-25-18-9-7-8-10-19(18)26-21)24-27-20-12-11-17(31-6-3)15-22(20)32-24/h7-12,15-16H,4-6,13-14H2,1-3H3.

What are the key properties of N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)quinoxaline-2-carboxamide?

N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)quinoxaline-2-carboxamide has a molecular weight of 449.58 g/mol, XLogP of 4.63, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)quinoxaline-2-carboxamide is sourced from PubChem (CID 43961888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).