ethyl 2-[2-methoxy-5-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetate

C21H18N2O5S — CID 1283159

About ethyl 2-[2-methoxy-5-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetate

ethyl 2-[2-methoxy-5-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetate (PubChem CID 1283159) has the molecular formula C21H18N2O5S and a molecular weight of 410.45 g/mol. Its IUPAC name is ethyl 2-[2-methoxy-5-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetate.

Molecular Properties

• Compound Name: ethyl 2-[2-methoxy-5-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetate
• PubChem CID: 1283159
• Molecular Formula: C21H18N2O5S
• Molecular Weight: 410.45 g/mol
• Exact Mass: 410.09
• IUPAC Name: ethyl 2-[2-methoxy-5-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetate
• SMILES: CCOC(=O)COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1OC
• InChI: InChI=1S/C21H18N2O5S/c1-3-27-19(24)12-28-17-10-13(8-9-16(17)26-2)11-18-20(25)23-15-7-5-4-6-14(15)22-21(23)29-18/h4-11H,3,12H2,1-2H3/b18-11-
• InChIKey: FOAXQVJXAFEAEA-WQRHYEAKSA-N
• XLogP: 2.41
• TPSA: 79.13 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.45
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-methoxy-5-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetate?

The IUPAC name of ethyl 2-[2-methoxy-5-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetate (CID 1283159) is ethyl 2-[2-methoxy-5-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetate.

What is the SMILES notation for ethyl 2-[2-methoxy-5-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetate?

The canonical SMILES for ethyl 2-[2-methoxy-5-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetate is CCOC(=O)COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1OC.

What is the InChIKey of ethyl 2-[2-methoxy-5-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetate?

The InChIKey is FOAXQVJXAFEAEA-WQRHYEAKSA-N. The full InChI is InChI=1S/C21H18N2O5S/c1-3-27-19(24)12-28-17-10-13(8-9-16(17)26-2)11-18-20(25)23-15-7-5-4-6-14(15)22-21(23)29-18/h4-11H,3,12H2,1-2H3/b18-11-.

What are the key properties of ethyl 2-[2-methoxy-5-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetate?

ethyl 2-[2-methoxy-5-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetate has a molecular weight of 410.45 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[2-methoxy-5-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetate is sourced from PubChem (CID 1283159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).