2-[(5R)-2-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide

C25H21ClN4O3S — CID 40882170

About 2-[(5R)-2-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide

2-[(5R)-2-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide (PubChem CID 40882170) has the molecular formula C25H21ClN4O3S and a molecular weight of 492.99 g/mol. Its IUPAC name is 2-[(5R)-2-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(5R)-2-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide
• PubChem CID: 40882170
• Molecular Formula: C25H21ClN4O3S
• Molecular Weight: 492.99 g/mol
• Exact Mass: 492.10
• IUPAC Name: 2-[(5R)-2-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide
• SMILES: Cc1ccc(NC(=O)C[C@H]2SC(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccco3)=NC2=O)cc1
• InChI: InChI=1S/C25H21ClN4O3S/c1-15-4-10-18(11-5-15)27-23(31)14-22-24(32)28-25(34-22)30-20(21-3-2-12-33-21)13-19(29-30)16-6-8-17(26)9-7-16/h2-12,20,22H,13-14H2,1H3,(H,27,31)/t20-,22-/m1/s1
• InChIKey: CTZPWKFQGAOLKY-IFMALSPDSA-N
• XLogP: 5.42
• TPSA: 87.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.99
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-2-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide?

The IUPAC name of 2-[(5R)-2-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide (CID 40882170) is 2-[(5R)-2-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide.

What is the SMILES notation for 2-[(5R)-2-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide?

The canonical SMILES for 2-[(5R)-2-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)C[C@H]2SC(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccco3)=NC2=O)cc1.

What is the InChIKey of 2-[(5R)-2-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide?

The InChIKey is CTZPWKFQGAOLKY-IFMALSPDSA-N. The full InChI is InChI=1S/C25H21ClN4O3S/c1-15-4-10-18(11-5-15)27-23(31)14-22-24(32)28-25(34-22)30-20(21-3-2-12-33-21)13-19(29-30)16-6-8-17(26)9-7-16/h2-12,20,22H,13-14H2,1H3,(H,27,31)/t20-,22-/m1/s1.

What are the key properties of 2-[(5R)-2-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide?

2-[(5R)-2-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 492.99 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5R)-2-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 40882170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).