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

C28H24ClFN4O2S — CID 98368399

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

2-[(5R)-2-[(3R)-3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(4-fluoro-3-methylphenyl)acetamide (PubChem CID 98368399) has the molecular formula C28H24ClFN4O2S and a molecular weight of 535.04 g/mol. Its IUPAC name is 2-[(5R)-2-[(3R)-3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(4-fluoro-3-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(5R)-2-[(3R)-3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(4-fluoro-3-methylphenyl)acetamide
• PubChem CID: 98368399
• Molecular Formula: C28H24ClFN4O2S
• Molecular Weight: 535.04 g/mol
• Exact Mass: 534.13
• IUPAC Name: 2-[(5R)-2-[(3R)-3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(4-fluoro-3-methylphenyl)acetamide
• SMILES: Cc1ccc(C2=NN(C3=NC(=O)[C@@H](CC(=O)Nc4ccc(F)c(C)c4)S3)[C@@H](c3ccc(Cl)cc3)C2)cc1
• InChI: InChI=1S/C28H24ClFN4O2S/c1-16-3-5-18(6-4-16)23-14-24(19-7-9-20(29)10-8-19)34(33-23)28-32-27(36)25(37-28)15-26(35)31-21-11-12-22(30)17(2)13-21/h3-13,24-25H,14-15H2,1-2H3,(H,31,35)/t24-,25-/m1/s1
• InChIKey: SNQNIDUPIQIZKR-JWQCQUIFSA-N
• XLogP: 6.27
• TPSA: 74.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.04
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[(5R)-2-[(3R)-3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(4-fluoro-3-methylphenyl)acetamide (CID 98368399) is 2-[(5R)-2-[(3R)-3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(4-fluoro-3-methylphenyl)acetamide.

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

The canonical SMILES for 2-[(5R)-2-[(3R)-3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(4-fluoro-3-methylphenyl)acetamide is Cc1ccc(C2=NN(C3=NC(=O)[C@@H](CC(=O)Nc4ccc(F)c(C)c4)S3)[C@@H](c3ccc(Cl)cc3)C2)cc1.

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

The InChIKey is SNQNIDUPIQIZKR-JWQCQUIFSA-N. The full InChI is InChI=1S/C28H24ClFN4O2S/c1-16-3-5-18(6-4-16)23-14-24(19-7-9-20(29)10-8-19)34(33-23)28-32-27(36)25(37-28)15-26(35)31-21-11-12-22(30)17(2)13-21/h3-13,24-25H,14-15H2,1-2H3,(H,31,35)/t24-,25-/m1/s1.

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

2-[(5R)-2-[(3R)-3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(4-fluoro-3-methylphenyl)acetamide has a molecular weight of 535.04 g/mol, XLogP of 6.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5R)-2-[(3R)-3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(4-fluoro-3-methylphenyl)acetamide is sourced from PubChem (CID 98368399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).