2-[2-ethoxy-6-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetic acid

C20H16N2O5S — CID 6281116

About 2-[2-ethoxy-6-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetic acid

2-[2-ethoxy-6-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetic acid (PubChem CID 6281116) has the molecular formula C20H16N2O5S and a molecular weight of 396.42 g/mol. Its IUPAC name is 2-[2-ethoxy-6-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetic acid.

Molecular Properties

• Compound Name: 2-[2-ethoxy-6-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetic acid
• PubChem CID: 6281116
• Molecular Formula: C20H16N2O5S
• Molecular Weight: 396.42 g/mol
• Exact Mass: 396.08
• IUPAC Name: 2-[2-ethoxy-6-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetic acid
• SMILES: CCOc1cccc(/C=c2\sc3nc4ccccc4n3c2=O)c1OCC(=O)O
• InChI: InChI=1S/C20H16N2O5S/c1-2-26-15-9-5-6-12(18(15)27-11-17(23)24)10-16-19(25)22-14-8-4-3-7-13(14)21-20(22)28-16/h3-10H,2,11H2,1H3,(H,23,24)/b16-10-
• InChIKey: UZSQWLGUTSYRNB-YBEGLDIGSA-N
• XLogP: 2.32
• TPSA: 90.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.42
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-6-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetic acid?

The IUPAC name of 2-[2-ethoxy-6-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetic acid (CID 6281116) is 2-[2-ethoxy-6-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetic acid.

What is the SMILES notation for 2-[2-ethoxy-6-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetic acid?

The canonical SMILES for 2-[2-ethoxy-6-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetic acid is CCOc1cccc(/C=c2\sc3nc4ccccc4n3c2=O)c1OCC(=O)O.

What is the InChIKey of 2-[2-ethoxy-6-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetic acid?

The InChIKey is UZSQWLGUTSYRNB-YBEGLDIGSA-N. The full InChI is InChI=1S/C20H16N2O5S/c1-2-26-15-9-5-6-12(18(15)27-11-17(23)24)10-16-19(25)22-14-8-4-3-7-13(14)21-20(22)28-16/h3-10H,2,11H2,1H3,(H,23,24)/b16-10-.

What are the key properties of 2-[2-ethoxy-6-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetic acid?

2-[2-ethoxy-6-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetic acid has a molecular weight of 396.42 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-ethoxy-6-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetic acid is sourced from PubChem (CID 6281116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).