N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide

C23H20N2O3S3 — CID 24586275

About N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide

N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide (PubChem CID 24586275) has the molecular formula C23H20N2O3S3 and a molecular weight of 468.63 g/mol. Its IUPAC name is N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide.

Molecular Properties

• Compound Name: N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide
• PubChem CID: 24586275
• Molecular Formula: C23H20N2O3S3
• Molecular Weight: 468.63 g/mol
• Exact Mass: 468.06
• IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide
• SMILES: O=C(COc1ccccc1C1SCCS1)NCc1ccc(-c2nc3ccccc3s2)o1
• InChI: InChI=1S/C23H20N2O3S3/c26-21(14-27-18-7-3-1-5-16(18)23-29-11-12-30-23)24-13-15-9-10-19(28-15)22-25-17-6-2-4-8-20(17)31-22/h1-10,23H,11-14H2,(H,24,26)
• InChIKey: CCGPSXZRXAIQRZ-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 64.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.63
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide?

The IUPAC name of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide (CID 24586275) is N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide.

What is the SMILES notation for N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide?

The canonical SMILES for N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide is O=C(COc1ccccc1C1SCCS1)NCc1ccc(-c2nc3ccccc3s2)o1.

What is the InChIKey of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide?

The InChIKey is CCGPSXZRXAIQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3S3/c26-21(14-27-18-7-3-1-5-16(18)23-29-11-12-30-23)24-13-15-9-10-19(28-15)22-25-17-6-2-4-8-20(17)31-22/h1-10,23H,11-14H2,(H,24,26).

What are the key properties of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide?

N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide has a molecular weight of 468.63 g/mol, XLogP of 5.73, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide is sourced from PubChem (CID 24586275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).