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

C23H16N4O3S — CID 78894993

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

N-[3-[[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 78894993) has the molecular formula C23H16N4O3S and a molecular weight of 428.47 g/mol. Its IUPAC name is N-[3-[[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide
• PubChem CID: 78894993
• Molecular Formula: C23H16N4O3S
• Molecular Weight: 428.47 g/mol
• Exact Mass: 428.09
• IUPAC Name: N-[3-[[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide
• SMILES: N#Cc1ccc(Cc2cnc(NC(=O)c3cccc(NC(=O)c4ccco4)c3)s2)cc1
• InChI: InChI=1S/C23H16N4O3S/c24-13-16-8-6-15(7-9-16)11-19-14-25-23(31-19)27-21(28)17-3-1-4-18(12-17)26-22(29)20-5-2-10-30-20/h1-10,12,14H,11H2,(H,26,29)(H,25,27,28)
• InChIKey: YORLXRQKUQQPBB-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 108.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.47
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[3-[[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide (CID 78894993) is N-[3-[[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide.

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

The canonical SMILES for N-[3-[[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide is N#Cc1ccc(Cc2cnc(NC(=O)c3cccc(NC(=O)c4ccco4)c3)s2)cc1.

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

The InChIKey is YORLXRQKUQQPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O3S/c24-13-16-8-6-15(7-9-16)11-19-14-25-23(31-19)27-21(28)17-3-1-4-18(12-17)26-22(29)20-5-2-10-30-20/h1-10,12,14H,11H2,(H,26,29)(H,25,27,28).

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

N-[3-[[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 428.47 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 78894993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).