2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide

C21H15N3O3S2 — CID 55989911

About 2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide

2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide (PubChem CID 55989911) has the molecular formula C21H15N3O3S2 and a molecular weight of 421.50 g/mol. Its IUPAC name is 2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide
• PubChem CID: 55989911
• Molecular Formula: C21H15N3O3S2
• Molecular Weight: 421.50 g/mol
• Exact Mass: 421.06
• IUPAC Name: 2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide
• SMILES: Cc1nc2c(cc(OCC(=O)Nc3cccc(-c4cnco4)c3)c3ccsc32)s1
• InChI: InChI=1S/C21H15N3O3S2/c1-12-23-20-18(29-12)8-16(15-5-6-28-21(15)20)26-10-19(25)24-14-4-2-3-13(7-14)17-9-22-11-27-17/h2-9,11H,10H2,1H3,(H,24,25)
• InChIKey: GJKPSDWATJXYCQ-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 77.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	421.50
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide?

The IUPAC name of 2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide (CID 55989911) is 2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide.

What is the SMILES notation for 2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide?

The canonical SMILES for 2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide is Cc1nc2c(cc(OCC(=O)Nc3cccc(-c4cnco4)c3)c3ccsc32)s1.

What is the InChIKey of 2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide?

The InChIKey is GJKPSDWATJXYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O3S2/c1-12-23-20-18(29-12)8-16(15-5-6-28-21(15)20)26-10-19(25)24-14-4-2-3-13(7-14)17-9-22-11-27-17/h2-9,11H,10H2,1H3,(H,24,25).

What are the key properties of 2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide?

2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide has a molecular weight of 421.50 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 55989911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).