N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide

C25H19N3O3S — CID 41056222

About N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide

N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide (PubChem CID 41056222) has the molecular formula C25H19N3O3S and a molecular weight of 441.51 g/mol. Its IUPAC name is N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide.

Molecular Properties

• Compound Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide
• PubChem CID: 41056222
• Molecular Formula: C25H19N3O3S
• Molecular Weight: 441.51 g/mol
• Exact Mass: 441.11
• IUPAC Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide
• SMILES: Cc1cc(C)c2sc(N(Cc3ccccn3)C(=O)c3coc4ccccc4c3=O)nc2c1
• InChI: InChI=1S/C25H19N3O3S/c1-15-11-16(2)23-20(12-15)27-25(32-23)28(13-17-7-5-6-10-26-17)24(30)19-14-31-21-9-4-3-8-18(21)22(19)29/h3-12,14H,13H2,1-2H3
• InChIKey: OROJKQHBZFUCPP-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 76.30 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.51
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide?

The IUPAC name of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide (CID 41056222) is N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide.

What is the SMILES notation for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide?

The canonical SMILES for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide is Cc1cc(C)c2sc(N(Cc3ccccn3)C(=O)c3coc4ccccc4c3=O)nc2c1.

What is the InChIKey of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide?

The InChIKey is OROJKQHBZFUCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O3S/c1-15-11-16(2)23-20(12-15)27-25(32-23)28(13-17-7-5-6-10-26-17)24(30)19-14-31-21-9-4-3-8-18(21)22(19)29/h3-12,14H,13H2,1-2H3.

What are the key properties of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide?

N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide has a molecular weight of 441.51 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide is sourced from PubChem (CID 41056222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).