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

C27H23ClN4O2S — CID 92704503

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

2-[(5R)-2-[(3S)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(2-methylphenyl)acetamide (PubChem CID 92704503) has the molecular formula C27H23ClN4O2S and a molecular weight of 503.03 g/mol. Its IUPAC name is 2-[(5R)-2-[(3S)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(5R)-2-[(3S)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(2-methylphenyl)acetamide
• PubChem CID: 92704503
• Molecular Formula: C27H23ClN4O2S
• Molecular Weight: 503.03 g/mol
• Exact Mass: 502.12
• IUPAC Name: 2-[(5R)-2-[(3S)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(2-methylphenyl)acetamide
• SMILES: Cc1ccccc1NC(=O)C[C@H]1SC(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccccc2)=NC1=O
• InChI: InChI=1S/C27H23ClN4O2S/c1-17-7-5-6-10-21(17)29-25(33)16-24-26(34)30-27(35-24)32-23(19-8-3-2-4-9-19)15-22(31-32)18-11-13-20(28)14-12-18/h2-14,23-24H,15-16H2,1H3,(H,29,33)/t23-,24+/m0/s1
• InChIKey: MXBYVFRZOLVLRC-BJKOFHAPSA-N
• XLogP: 5.83
• TPSA: 74.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.03
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[(5R)-2-[(3S)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(2-methylphenyl)acetamide (CID 92704503) is 2-[(5R)-2-[(3S)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(2-methylphenyl)acetamide.

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

The canonical SMILES for 2-[(5R)-2-[(3S)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)C[C@H]1SC(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccccc2)=NC1=O.

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

The InChIKey is MXBYVFRZOLVLRC-BJKOFHAPSA-N. The full InChI is InChI=1S/C27H23ClN4O2S/c1-17-7-5-6-10-21(17)29-25(33)16-24-26(34)30-27(35-24)32-23(19-8-3-2-4-9-19)15-22(31-32)18-11-13-20(28)14-12-18/h2-14,23-24H,15-16H2,1H3,(H,29,33)/t23-,24+/m0/s1.

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

2-[(5R)-2-[(3S)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 503.03 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5R)-2-[(3S)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 92704503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).