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

C22H13Cl2F3N2O2S — CID 4860836

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

N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 4860836) has the molecular formula C22H13Cl2F3N2O2S and a molecular weight of 497.33 g/mol. Its IUPAC name is N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
• PubChem CID: 4860836
• Molecular Formula: C22H13Cl2F3N2O2S
• Molecular Weight: 497.33 g/mol
• Exact Mass: 496.00
• IUPAC Name: N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
• SMILES: O=C(Nc1ncc(Cc2ccc(Cl)cc2Cl)s1)c1ccc(-c2ccccc2C(F)(F)F)o1
• InChI: InChI=1S/C22H13Cl2F3N2O2S/c23-13-6-5-12(17(24)10-13)9-14-11-28-21(32-14)29-20(30)19-8-7-18(31-19)15-3-1-2-4-16(15)22(25,26)27/h1-8,10-11H,9H2,(H,28,29,30)
• InChIKey: ACEVPYNSQOPIDU-UHFFFAOYSA-N
• XLogP: 7.57
• TPSA: 55.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.33
LogP ≤ 5	7.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 4860836) is N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide.

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

The canonical SMILES for N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide is O=C(Nc1ncc(Cc2ccc(Cl)cc2Cl)s1)c1ccc(-c2ccccc2C(F)(F)F)o1.

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

The InChIKey is ACEVPYNSQOPIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Cl2F3N2O2S/c23-13-6-5-12(17(24)10-13)9-14-11-28-21(32-14)29-20(30)19-8-7-18(31-19)15-3-1-2-4-16(15)22(25,26)27/h1-8,10-11H,9H2,(H,28,29,30).

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

N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 497.33 g/mol, XLogP of 7.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 4860836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).