N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide

C20H17FN4O2S2 — CID 30941178

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide (PubChem CID 30941178) has the molecular formula C20H17FN4O2S2 and a molecular weight of 428.51 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

• Compound Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide
• PubChem CID: 30941178
• Molecular Formula: C20H17FN4O2S2
• Molecular Weight: 428.51 g/mol
• Exact Mass: 428.08
• IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide
• SMILES: CCOc1ccc2nc(NC(=O)Cc3csc(Nc4ccc(F)cc4)n3)sc2c1
• InChI: InChI=1S/C20H17FN4O2S2/c1-2-27-15-7-8-16-17(10-15)29-20(24-16)25-18(26)9-14-11-28-19(23-14)22-13-5-3-12(21)4-6-13/h3-8,10-11H,2,9H2,1H3,(H,22,23)(H,24,25,26)
• InChIKey: UXOJMCVPZUNPJZ-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 76.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.51
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide?

The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide (CID 30941178) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide.

What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide?

The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide is CCOc1ccc2nc(NC(=O)Cc3csc(Nc4ccc(F)cc4)n3)sc2c1.

What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide?

The InChIKey is UXOJMCVPZUNPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2S2/c1-2-27-15-7-8-16-17(10-15)29-20(24-16)25-18(26)9-14-11-28-19(23-14)22-13-5-3-12(21)4-6-13/h3-8,10-11H,2,9H2,1H3,(H,22,23)(H,24,25,26).

What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide?

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide has a molecular weight of 428.51 g/mol, XLogP of 5.22, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 30941178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).