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

C28H25FN4O2S — CID 51981971

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

N-(4-fluoro-3-methylphenyl)-2-[(5S)-2-[(3S)-5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide (PubChem CID 51981971) has the molecular formula C28H25FN4O2S and a molecular weight of 500.60 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-2-[(5S)-2-[(3S)-5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-fluoro-3-methylphenyl)-2-[(5S)-2-[(3S)-5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
• PubChem CID: 51981971
• Molecular Formula: C28H25FN4O2S
• Molecular Weight: 500.60 g/mol
• Exact Mass: 500.17
• IUPAC Name: N-(4-fluoro-3-methylphenyl)-2-[(5S)-2-[(3S)-5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
• SMILES: Cc1ccc(C2=NN(C3=NC(=O)[C@H](CC(=O)Nc4ccc(F)c(C)c4)S3)[C@H](c3ccccc3)C2)cc1
• InChI: InChI=1S/C28H25FN4O2S/c1-17-8-10-19(11-9-17)23-15-24(20-6-4-3-5-7-20)33(32-23)28-31-27(35)25(36-28)16-26(34)30-21-12-13-22(29)18(2)14-21/h3-14,24-25H,15-16H2,1-2H3,(H,30,34)/t24-,25-/m0/s1
• InChIKey: ZWZYRSZVZBEQLB-DQEYMECFSA-N
• XLogP: 5.62
• TPSA: 74.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.60
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(4-fluoro-3-methylphenyl)-2-[(5S)-2-[(3S)-5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide (CID 51981971) is N-(4-fluoro-3-methylphenyl)-2-[(5S)-2-[(3S)-5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide.

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

The canonical SMILES for N-(4-fluoro-3-methylphenyl)-2-[(5S)-2-[(3S)-5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide is Cc1ccc(C2=NN(C3=NC(=O)[C@H](CC(=O)Nc4ccc(F)c(C)c4)S3)[C@H](c3ccccc3)C2)cc1.

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

The InChIKey is ZWZYRSZVZBEQLB-DQEYMECFSA-N. The full InChI is InChI=1S/C28H25FN4O2S/c1-17-8-10-19(11-9-17)23-15-24(20-6-4-3-5-7-20)33(32-23)28-31-27(35)25(36-28)16-26(34)30-21-12-13-22(29)18(2)14-21/h3-14,24-25H,15-16H2,1-2H3,(H,30,34)/t24-,25-/m0/s1.

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

N-(4-fluoro-3-methylphenyl)-2-[(5S)-2-[(3S)-5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide has a molecular weight of 500.60 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluoro-3-methylphenyl)-2-[(5S)-2-[(3S)-5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 51981971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).