5-[(4-bromophenoxy)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide

C22H15BrF2N2O4S — CID 19413597

About 5-[(4-bromophenoxy)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide

5-[(4-bromophenoxy)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 19413597) has the molecular formula C22H15BrF2N2O4S and a molecular weight of 521.34 g/mol. Its IUPAC name is 5-[(4-bromophenoxy)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-bromophenoxy)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide
• PubChem CID: 19413597
• Molecular Formula: C22H15BrF2N2O4S
• Molecular Weight: 521.34 g/mol
• Exact Mass: 519.99
• IUPAC Name: 5-[(4-bromophenoxy)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide
• SMILES: O=C(Nc1nc(-c2ccc(OC(F)F)cc2)cs1)c1ccc(COc2ccc(Br)cc2)o1
• InChI: InChI=1S/C22H15BrF2N2O4S/c23-14-3-7-15(8-4-14)29-11-17-9-10-19(30-17)20(28)27-22-26-18(12-32-22)13-1-5-16(6-2-13)31-21(24)25/h1-10,12,21H,11H2,(H,26,27,28)
• InChIKey: SGULERWXLZPIGH-UHFFFAOYSA-N
• XLogP: 6.60
• TPSA: 73.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.34
LogP ≤ 5	6.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[(4-bromophenoxy)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 19413597) is 5-[(4-bromophenoxy)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

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

The canonical SMILES for 5-[(4-bromophenoxy)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide is O=C(Nc1nc(-c2ccc(OC(F)F)cc2)cs1)c1ccc(COc2ccc(Br)cc2)o1.

What is the InChIKey of 5-[(4-bromophenoxy)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

The InChIKey is SGULERWXLZPIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrF2N2O4S/c23-14-3-7-15(8-4-14)29-11-17-9-10-19(30-17)20(28)27-22-26-18(12-32-22)13-1-5-16(6-2-13)31-21(24)25/h1-10,12,21H,11H2,(H,26,27,28).

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

5-[(4-bromophenoxy)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 521.34 g/mol, XLogP of 6.60, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-bromophenoxy)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 19413597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).