N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide

C21H16F2N2O5S — CID 19412762

About N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide

N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide (PubChem CID 19412762) has the molecular formula C21H16F2N2O5S and a molecular weight of 446.43 g/mol. Its IUPAC name is N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
• PubChem CID: 19412762
• Molecular Formula: C21H16F2N2O5S
• Molecular Weight: 446.43 g/mol
• Exact Mass: 446.07
• IUPAC Name: N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
• SMILES: COc1cccc(OCc2ccc(C(=O)Nc3nc4ccc(OC(F)F)cc4s3)o2)c1
• InChI: InChI=1S/C21H16F2N2O5S/c1-27-12-3-2-4-13(9-12)28-11-15-6-8-17(29-15)19(26)25-21-24-16-7-5-14(30-20(22)23)10-18(16)31-21/h2-10,20H,11H2,1H3,(H,24,25,26)
• InChIKey: FFVGVPGAOJVRMZ-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 82.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.43
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide?

The IUPAC name of N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide (CID 19412762) is N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide.

What is the SMILES notation for N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide?

The canonical SMILES for N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide is COc1cccc(OCc2ccc(C(=O)Nc3nc4ccc(OC(F)F)cc4s3)o2)c1.

What is the InChIKey of N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide?

The InChIKey is FFVGVPGAOJVRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2O5S/c1-27-12-3-2-4-13(9-12)28-11-15-6-8-17(29-15)19(26)25-21-24-16-7-5-14(30-20(22)23)10-18(16)31-21/h2-10,20H,11H2,1H3,(H,24,25,26).

What are the key properties of N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide?

N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide has a molecular weight of 446.43 g/mol, XLogP of 5.33, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19412762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).