2,3-dimethoxy-N-(3-propyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide

C21H22N2O5S — CID 7541232

About 2,3-dimethoxy-N-(3-propyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide

2,3-dimethoxy-N-(3-propyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide (PubChem CID 7541232) has the molecular formula C21H22N2O5S and a molecular weight of 414.48 g/mol. Its IUPAC name is 2,3-dimethoxy-N-(3-propyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide.

Molecular Properties

• Compound Name: 2,3-dimethoxy-N-(3-propyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide
• PubChem CID: 7541232
• Molecular Formula: C21H22N2O5S
• Molecular Weight: 414.48 g/mol
• Exact Mass: 414.12
• IUPAC Name: 2,3-dimethoxy-N-(3-propyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide
• SMILES: CCCn1/c(=N/C(=O)c2cccc(OC)c2OC)sc2cc3c(cc21)OCCO3
• InChI: InChI=1S/C21H22N2O5S/c1-4-8-23-14-11-16-17(28-10-9-27-16)12-18(14)29-21(23)22-20(24)13-6-5-7-15(25-2)19(13)26-3/h5-7,11-12H,4,8-10H2,1-3H3/b22-21-
• InChIKey: JJSJFBXEZOBQSD-DQRAZIAOSA-N
• XLogP: 3.64
• TPSA: 71.28 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.48
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-(3-propyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide?

The IUPAC name of 2,3-dimethoxy-N-(3-propyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide (CID 7541232) is 2,3-dimethoxy-N-(3-propyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide.

What is the SMILES notation for 2,3-dimethoxy-N-(3-propyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide?

The canonical SMILES for 2,3-dimethoxy-N-(3-propyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide is CCCn1/c(=N/C(=O)c2cccc(OC)c2OC)sc2cc3c(cc21)OCCO3.

What is the InChIKey of 2,3-dimethoxy-N-(3-propyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide?

The InChIKey is JJSJFBXEZOBQSD-DQRAZIAOSA-N. The full InChI is InChI=1S/C21H22N2O5S/c1-4-8-23-14-11-16-17(28-10-9-27-16)12-18(14)29-21(23)22-20(24)13-6-5-7-15(25-2)19(13)26-3/h5-7,11-12H,4,8-10H2,1-3H3/b22-21-.

What are the key properties of 2,3-dimethoxy-N-(3-propyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide?

2,3-dimethoxy-N-(3-propyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide has a molecular weight of 414.48 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dimethoxy-N-(3-propyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 7541232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).