5-[(2,4-dichlorophenoxy)methyl]-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]furan-2-carboxamide

C20H12Cl2F2N2O4S — CID 19456959

About 5-[(2,4-dichlorophenoxy)methyl]-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]furan-2-carboxamide

5-[(2,4-dichlorophenoxy)methyl]-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]furan-2-carboxamide (PubChem CID 19456959) has the molecular formula C20H12Cl2F2N2O4S and a molecular weight of 485.30 g/mol. Its IUPAC name is 5-[(2,4-dichlorophenoxy)methyl]-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(2,4-dichlorophenoxy)methyl]-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]furan-2-carboxamide
• PubChem CID: 19456959
• Molecular Formula: C20H12Cl2F2N2O4S
• Molecular Weight: 485.30 g/mol
• Exact Mass: 483.99
• IUPAC Name: 5-[(2,4-dichlorophenoxy)methyl]-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]furan-2-carboxamide
• SMILES: O=C(Nc1nc2ccc(OC(F)F)cc2s1)c1ccc(COc2ccc(Cl)cc2Cl)o1
• InChI: InChI=1S/C20H12Cl2F2N2O4S/c21-10-1-5-15(13(22)7-10)28-9-12-3-6-16(29-12)18(27)26-20-25-14-4-2-11(30-19(23)24)8-17(14)31-20/h1-8,19H,9H2,(H,25,26,27)
• InChIKey: LTAWJPAAUOOHON-UHFFFAOYSA-N
• XLogP: 6.63
• TPSA: 73.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.30
LogP ≤ 5	6.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dichlorophenoxy)methyl]-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]furan-2-carboxamide?

The IUPAC name of 5-[(2,4-dichlorophenoxy)methyl]-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]furan-2-carboxamide (CID 19456959) is 5-[(2,4-dichlorophenoxy)methyl]-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]furan-2-carboxamide.

What is the SMILES notation for 5-[(2,4-dichlorophenoxy)methyl]-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]furan-2-carboxamide?

The canonical SMILES for 5-[(2,4-dichlorophenoxy)methyl]-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]furan-2-carboxamide is O=C(Nc1nc2ccc(OC(F)F)cc2s1)c1ccc(COc2ccc(Cl)cc2Cl)o1.

What is the InChIKey of 5-[(2,4-dichlorophenoxy)methyl]-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]furan-2-carboxamide?

The InChIKey is LTAWJPAAUOOHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2F2N2O4S/c21-10-1-5-15(13(22)7-10)28-9-12-3-6-16(29-12)18(27)26-20-25-14-4-2-11(30-19(23)24)8-17(14)31-20/h1-8,19H,9H2,(H,25,26,27).

What are the key properties of 5-[(2,4-dichlorophenoxy)methyl]-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]furan-2-carboxamide?

5-[(2,4-dichlorophenoxy)methyl]-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]furan-2-carboxamide has a molecular weight of 485.30 g/mol, XLogP of 6.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2,4-dichlorophenoxy)methyl]-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 19456959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).