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

C18H15ClN2O4S — CID 7154030

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

2-(4-chlorophenoxy)-N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide (PubChem CID 7154030) has the molecular formula C18H15ClN2O4S and a molecular weight of 390.85 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenoxy)-N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide
• PubChem CID: 7154030
• Molecular Formula: C18H15ClN2O4S
• Molecular Weight: 390.85 g/mol
• Exact Mass: 390.04
• IUPAC Name: 2-(4-chlorophenoxy)-N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide
• SMILES: CCn1/c(=N/C(=O)COc2ccc(Cl)cc2)sc2cc3c(cc21)OCO3
• InChI: InChI=1S/C18H15ClN2O4S/c1-2-21-13-7-14-15(25-10-24-14)8-16(13)26-18(21)20-17(22)9-23-12-5-3-11(19)4-6-12/h3-8H,2,9-10H2,1H3/b20-18-
• InChIKey: YVAKIQYUJOIAHL-ZZEZOPTASA-N
• XLogP: 3.61
• 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	390.85
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-(4-chlorophenoxy)-N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide (CID 7154030) is 2-(4-chlorophenoxy)-N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide.

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

The canonical SMILES for 2-(4-chlorophenoxy)-N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide is CCn1/c(=N/C(=O)COc2ccc(Cl)cc2)sc2cc3c(cc21)OCO3.

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

The InChIKey is YVAKIQYUJOIAHL-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H15ClN2O4S/c1-2-21-13-7-14-15(25-10-24-14)8-16(13)26-18(21)20-17(22)9-23-12-5-3-11(19)4-6-12/h3-8H,2,9-10H2,1H3/b20-18-.

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

2-(4-chlorophenoxy)-N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide has a molecular weight of 390.85 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenoxy)-N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide is sourced from PubChem (CID 7154030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).