N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(2-methylphenoxy)acetamide

C19H18N2O4S — CID 43978573

About N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(2-methylphenoxy)acetamide

N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(2-methylphenoxy)acetamide (PubChem CID 43978573) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(2-methylphenoxy)acetamide.

Molecular Properties

• Compound Name: N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(2-methylphenoxy)acetamide
• PubChem CID: 43978573
• Molecular Formula: C19H18N2O4S
• Molecular Weight: 370.43 g/mol
• Exact Mass: 370.10
• IUPAC Name: N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(2-methylphenoxy)acetamide
• SMILES: CCn1/c(=N/C(=O)COc2ccccc2C)sc2cc3c(cc21)OCO3
• InChI: InChI=1S/C19H18N2O4S/c1-3-21-13-8-15-16(25-11-24-15)9-17(13)26-19(21)20-18(22)10-23-14-7-5-4-6-12(14)2/h4-9H,3,10-11H2,1-2H3/b20-19-
• InChIKey: UQFGXLWWOSFLQE-VXPUYCOJSA-N
• XLogP: 3.27
• TPSA: 62.05 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.43
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(2-methylphenoxy)acetamide?

The IUPAC name of N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(2-methylphenoxy)acetamide (CID 43978573) is N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(2-methylphenoxy)acetamide.

What is the SMILES notation for N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(2-methylphenoxy)acetamide?

The canonical SMILES for N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(2-methylphenoxy)acetamide is CCn1/c(=N/C(=O)COc2ccccc2C)sc2cc3c(cc21)OCO3.

What is the InChIKey of N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(2-methylphenoxy)acetamide?

The InChIKey is UQFGXLWWOSFLQE-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-3-21-13-8-15-16(25-11-24-15)9-17(13)26-19(21)20-18(22)10-23-14-7-5-4-6-12(14)2/h4-9H,3,10-11H2,1-2H3/b20-19-.

What are the key properties of N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(2-methylphenoxy)acetamide?

N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(2-methylphenoxy)acetamide has a molecular weight of 370.43 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 43978573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).