2-[2-ethoxy-4-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]-N-(2-methoxyphenyl)acetamide

C27H23N3O5S — CID 126015724

About 2-[2-ethoxy-4-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]-N-(2-methoxyphenyl)acetamide

2-[2-ethoxy-4-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]-N-(2-methoxyphenyl)acetamide (PubChem CID 126015724) has the molecular formula C27H23N3O5S and a molecular weight of 501.56 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-ethoxy-4-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]-N-(2-methoxyphenyl)acetamide
• PubChem CID: 126015724
• Molecular Formula: C27H23N3O5S
• Molecular Weight: 501.56 g/mol
• Exact Mass: 501.14
• IUPAC Name: 2-[2-ethoxy-4-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]-N-(2-methoxyphenyl)acetamide
• SMILES: CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1OCC(=O)Nc1ccccc1OC
• InChI: InChI=1S/C27H23N3O5S/c1-3-34-23-14-17(15-24-26(32)30-20-10-6-4-8-18(20)29-27(30)36-24)12-13-22(23)35-16-25(31)28-19-9-5-7-11-21(19)33-2/h4-15H,3,16H2,1-2H3,(H,28,31)/b24-15-
• InChIKey: BPKJSHJEHJJRCG-IWIPYMOSSA-N
• XLogP: 3.88
• TPSA: 91.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.56
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]-N-(2-methoxyphenyl)acetamide?

The IUPAC name of 2-[2-ethoxy-4-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]-N-(2-methoxyphenyl)acetamide (CID 126015724) is 2-[2-ethoxy-4-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]-N-(2-methoxyphenyl)acetamide.

What is the SMILES notation for 2-[2-ethoxy-4-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]-N-(2-methoxyphenyl)acetamide?

The canonical SMILES for 2-[2-ethoxy-4-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]-N-(2-methoxyphenyl)acetamide is CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1OCC(=O)Nc1ccccc1OC.

What is the InChIKey of 2-[2-ethoxy-4-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]-N-(2-methoxyphenyl)acetamide?

The InChIKey is BPKJSHJEHJJRCG-IWIPYMOSSA-N. The full InChI is InChI=1S/C27H23N3O5S/c1-3-34-23-14-17(15-24-26(32)30-20-10-6-4-8-18(20)29-27(30)36-24)12-13-22(23)35-16-25(31)28-19-9-5-7-11-21(19)33-2/h4-15H,3,16H2,1-2H3,(H,28,31)/b24-15-.

What are the key properties of 2-[2-ethoxy-4-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]-N-(2-methoxyphenyl)acetamide?

2-[2-ethoxy-4-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]-N-(2-methoxyphenyl)acetamide has a molecular weight of 501.56 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-ethoxy-4-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 126015724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).