N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide

C20H19N3O4S — CID 90604270

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide (PubChem CID 90604270) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
• PubChem CID: 90604270
• Molecular Formula: C20H19N3O4S
• Molecular Weight: 397.46 g/mol
• Exact Mass: 397.11
• IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
• SMILES: COc1ccc2nc(N3CC(C(=O)Nc4ccc5c(c4)OCCO5)C3)sc2c1
• InChI: InChI=1S/C20H19N3O4S/c1-25-14-3-4-15-18(9-14)28-20(22-15)23-10-12(11-23)19(24)21-13-2-5-16-17(8-13)27-7-6-26-16/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,21,24)
• InChIKey: QECGSTFYWMUWRJ-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 72.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.46
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?

The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide (CID 90604270) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide.

What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?

The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide is COc1ccc2nc(N3CC(C(=O)Nc4ccc5c(c4)OCCO5)C3)sc2c1.

What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?

The InChIKey is QECGSTFYWMUWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-25-14-3-4-15-18(9-14)28-20(22-15)23-10-12(11-23)19(24)21-13-2-5-16-17(8-13)27-7-6-26-16/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,21,24).

What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide has a molecular weight of 397.46 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide is sourced from PubChem (CID 90604270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).