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

C26H24F2N2O4S — CID 19452519

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

5-[(4-tert-butylphenoxy)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 19452519) has the molecular formula C26H24F2N2O4S and a molecular weight of 498.55 g/mol. Its IUPAC name is 5-[(4-tert-butylphenoxy)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-tert-butylphenoxy)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide
• PubChem CID: 19452519
• Molecular Formula: C26H24F2N2O4S
• Molecular Weight: 498.55 g/mol
• Exact Mass: 498.14
• IUPAC Name: 5-[(4-tert-butylphenoxy)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide
• SMILES: CC(C)(C)c1ccc(OCc2ccc(C(=O)Nc3nc(-c4ccc(OC(F)F)cc4)cs3)o2)cc1
• InChI: InChI=1S/C26H24F2N2O4S/c1-26(2,3)17-6-10-18(11-7-17)32-14-20-12-13-22(33-20)23(31)30-25-29-21(15-35-25)16-4-8-19(9-5-16)34-24(27)28/h4-13,15,24H,14H2,1-3H3,(H,29,30,31)
• InChIKey: YXJIHEMQNJXVSA-UHFFFAOYSA-N
• XLogP: 7.13
• TPSA: 73.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.55
LogP ≤ 5	7.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[(4-tert-butylphenoxy)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 19452519) is 5-[(4-tert-butylphenoxy)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

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

The canonical SMILES for 5-[(4-tert-butylphenoxy)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide is CC(C)(C)c1ccc(OCc2ccc(C(=O)Nc3nc(-c4ccc(OC(F)F)cc4)cs3)o2)cc1.

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

The InChIKey is YXJIHEMQNJXVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N2O4S/c1-26(2,3)17-6-10-18(11-7-17)32-14-20-12-13-22(33-20)23(31)30-25-29-21(15-35-25)16-4-8-19(9-5-16)34-24(27)28/h4-13,15,24H,14H2,1-3H3,(H,29,30,31).

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

5-[(4-tert-butylphenoxy)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 498.55 g/mol, XLogP of 7.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-tert-butylphenoxy)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 19452519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).