5-(2,4-dichlorophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide

C24H14Cl2N2O2S — CID 17110826

About 5-(2,4-dichlorophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide

5-(2,4-dichlorophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide (PubChem CID 17110826) has the molecular formula C24H14Cl2N2O2S and a molecular weight of 465.36 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-(2,4-dichlorophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide
• PubChem CID: 17110826
• Molecular Formula: C24H14Cl2N2O2S
• Molecular Weight: 465.36 g/mol
• Exact Mass: 464.02
• IUPAC Name: 5-(2,4-dichlorophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide
• SMILES: O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(-c2ccc(Cl)cc2Cl)o1
• InChI: InChI=1S/C24H14Cl2N2O2S/c25-17-7-8-18(19(26)12-17)21-9-10-22(30-21)23(29)28-24-27-20(13-31-24)16-6-5-14-3-1-2-4-15(14)11-16/h1-13H,(H,27,28,29)
• InChIKey: FWWSHRCUYQWGGW-UHFFFAOYSA-N
• XLogP: 7.78
• TPSA: 55.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.36
LogP ≤ 5	7.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide?

The IUPAC name of 5-(2,4-dichlorophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide (CID 17110826) is 5-(2,4-dichlorophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide.

What is the SMILES notation for 5-(2,4-dichlorophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide?

The canonical SMILES for 5-(2,4-dichlorophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide is O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(-c2ccc(Cl)cc2Cl)o1.

What is the InChIKey of 5-(2,4-dichlorophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide?

The InChIKey is FWWSHRCUYQWGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl2N2O2S/c25-17-7-8-18(19(26)12-17)21-9-10-22(30-21)23(29)28-24-27-20(13-31-24)16-6-5-14-3-1-2-4-15(14)11-16/h1-13H,(H,27,28,29).

What are the key properties of 5-(2,4-dichlorophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide?

5-(2,4-dichlorophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide has a molecular weight of 465.36 g/mol, XLogP of 7.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,4-dichlorophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 17110826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).