N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-oxochromene-2-carboxamide

C24H23N3O5S — CID 18583181

About N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-oxochromene-2-carboxamide

N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-oxochromene-2-carboxamide (PubChem CID 18583181) has the molecular formula C24H23N3O5S and a molecular weight of 465.53 g/mol. Its IUPAC name is N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-oxochromene-2-carboxamide.

Molecular Properties

• Compound Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-oxochromene-2-carboxamide
• PubChem CID: 18583181
• Molecular Formula: C24H23N3O5S
• Molecular Weight: 465.53 g/mol
• Exact Mass: 465.14
• IUPAC Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-oxochromene-2-carboxamide
• SMILES: COc1ccc2sc(N(CCN3CCOCC3)C(=O)c3cc(=O)c4ccccc4o3)nc2c1
• InChI: InChI=1S/C24H23N3O5S/c1-30-16-6-7-22-18(14-16)25-24(33-22)27(9-8-26-10-12-31-13-11-26)23(29)21-15-19(28)17-4-2-3-5-20(17)32-21/h2-7,14-15H,8-13H2,1H3
• InChIKey: UQSUVMSDWRZKHG-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 85.11 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.53
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-oxochromene-2-carboxamide?

The IUPAC name of N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-oxochromene-2-carboxamide (CID 18583181) is N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-oxochromene-2-carboxamide.

What is the SMILES notation for N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-oxochromene-2-carboxamide?

The canonical SMILES for N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-oxochromene-2-carboxamide is COc1ccc2sc(N(CCN3CCOCC3)C(=O)c3cc(=O)c4ccccc4o3)nc2c1.

What is the InChIKey of N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-oxochromene-2-carboxamide?

The InChIKey is UQSUVMSDWRZKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5S/c1-30-16-6-7-22-18(14-16)25-24(33-22)27(9-8-26-10-12-31-13-11-26)23(29)21-15-19(28)17-4-2-3-5-20(17)32-21/h2-7,14-15H,8-13H2,1H3.

What are the key properties of N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-oxochromene-2-carboxamide?

N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-oxochromene-2-carboxamide has a molecular weight of 465.53 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 18583181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).