2-[(5R)-2-[(3R)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3,5-dimethylphenyl)acetamide

C28H24F2N4O2S — CID 28984523

IUPAC2-[(5R)-2-[(3R)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)C[C@H]2SC(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(F)cc3)=NC2=O)c1
InChIInChI=1S/C28H24F2N4O2S/c1-16-11-17(2)13-22(12-16)31-26(35)15-25-27(36)32-28(37-25)34-24(19-5-9-21(30)10-6-19)14-23(33-34)18-3-7-20(29)8-4-18/h3-13,24-25H,14-15H2,1-2H3,(H,31,35)/t24-,25-/m1/s1
InChIKeyLSHIPAVOHBIASB-JWQCQUIFSA-N
MW518.59 g/mol
LogP5.76
Rot. Bonds5

About 2-[(5R)-2-[(3R)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3,5-dimethylphenyl)acetamide

2-[(5R)-2-[(3R)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3,5-dimethylphenyl)acetamide (PubChem CID 28984523) has the molecular formula C28H24F2N4O2S and a molecular weight of 518.59 g/mol. Its IUPAC name is 2-[(5R)-2-[(3R)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5R)-2-[(3R)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3,5-dimethylphenyl)acetamide
PubChem CID28984523
Molecular FormulaC28H24F2N4O2S
Molecular Weight518.59 g/mol
Exact Mass518.16
IUPAC Name2-[(5R)-2-[(3R)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)C[C@H]2SC(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(F)cc3)=NC2=O)c1
InChIInChI=1S/C28H24F2N4O2S/c1-16-11-17(2)13-22(12-16)31-26(35)15-25-27(36)32-28(37-25)34-24(19-5-9-21(30)10-6-19)14-23(33-34)18-3-7-20(29)8-4-18/h3-13,24-25H,14-15H2,1-2H3,(H,31,35)/t24-,25-/m1/s1
InChIKeyLSHIPAVOHBIASB-JWQCQUIFSA-N
XLogP5.76
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.59
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-2-[(5R)-2-[(3R)-3-(4-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 28984603
2-[(5S)-2-[(3S)-3-(4-chlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3,5-dimethylphenyl)acetamide
CID 98270166
2-[2-[3,5-bis(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(4-fluorophenyl)acetamide
CID 22547918
2-[2-[3-(4-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methylphenyl)acetamide
CID 22548089
N-(3,4-dimethylphenyl)-2-[(5S)-2-[(3S)-3-(4-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 28984586
N-(3-fluorophenyl)-2-[(5S)-2-[(3R)-5-(4-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 92683218
N-(4-fluoro-3-methylphenyl)-2-[(5R)-2-[(3R)-3-(4-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 51981891
N-(4-chlorophenyl)-2-[(5R)-2-[(3R)-5-(4-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 41068225
2-[(5S)-2-[(3S)-3-(4-chlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide
CID 92683228
2-[(5R)-2-[(3S)-3-(3-chlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3,5-dimethylphenyl)acetamide
CID 98270217
N-(3-chlorophenyl)-2-[2-[5-(4-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 22524019
2-[(5R)-2-[(3S)-3-(4-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(4-methoxyphenyl)acetamide
CID 28984582

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-2-[(3R)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[(5R)-2-[(3R)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3,5-dimethylphenyl)acetamide (CID 28984523) is 2-[(5R)-2-[(3R)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(5R)-2-[(3R)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(5R)-2-[(3R)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3,5-dimethylphenyl)acetamide is Cc1cc(C)cc(NC(=O)C[C@H]2SC(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(F)cc3)=NC2=O)c1.
What is the InChIKey of 2-[(5R)-2-[(3R)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is LSHIPAVOHBIASB-JWQCQUIFSA-N. The full InChI is InChI=1S/C28H24F2N4O2S/c1-16-11-17(2)13-22(12-16)31-26(35)15-25-27(36)32-28(37-25)34-24(19-5-9-21(30)10-6-19)14-23(33-34)18-3-7-20(29)8-4-18/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)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3,5-dimethylphenyl)acetamide?
2-[(5R)-2-[(3R)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 518.59 g/mol, XLogP of 5.76, 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)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 28984523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).