2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]-N-phenylacetamide

C23H21FN4OS — CID 50751077

IUPAC2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]-N-phenylacetamide
SMILESCc1nn(-c2nc(CC(=O)Nc3ccccc3)cs2)c(C)c1Cc1cccc(F)c1
InChIInChI=1S/C23H21FN4OS/c1-15-21(12-17-7-6-8-18(24)11-17)16(2)28(27-15)23-26-20(14-30-23)13-22(29)25-19-9-4-3-5-10-19/h3-11,14H,12-13H2,1-2H3,(H,25,29)
InChIKeyWRLKXSUEFHIMGR-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.86
Rot. Bonds6

About 2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]-N-phenylacetamide

2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]-N-phenylacetamide (PubChem CID 50751077) has the molecular formula C23H21FN4OS and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]-N-phenylacetamide
PubChem CID50751077
Molecular FormulaC23H21FN4OS
Molecular Weight420.51 g/mol
Exact Mass420.14
IUPAC Name2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]-N-phenylacetamide
SMILESCc1nn(-c2nc(CC(=O)Nc3ccccc3)cs2)c(C)c1Cc1cccc(F)c1
InChIInChI=1S/C23H21FN4OS/c1-15-21(12-17-7-6-8-18(24)11-17)16(2)28(27-15)23-26-20(14-30-23)13-22(29)25-19-9-4-3-5-10-19/h3-11,14H,12-13H2,1-2H3,(H,25,29)
InChIKeyWRLKXSUEFHIMGR-UHFFFAOYSA-N
XLogP4.86
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide
CID 50751083
2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-phenylacetamide
CID 50746050
N-(2-ethylphenyl)-2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide
CID 46269651
N-(1H-benzimidazol-2-yl)-2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide
CID 50751053
2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-(2,4-dimethylphenyl)acetamide
CID 46265366
2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-(3-chloro-2-methylphenyl)acetamide
CID 46265381
2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 46265369
2-[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(2,6-dimethylphenyl)acetamide
CID 46265421
2-[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 46265433
2-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethylpyrazol-4-yl]-N-phenylacetamide
CID 53045303
N-benzyl-2-[2-[4-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide
CID 46265391
N-[4-(dimethylamino)phenyl]-2-[2-[4-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide
CID 46265474

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]-N-phenylacetamide?
The IUPAC name of 2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]-N-phenylacetamide (CID 50751077) is 2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]-N-phenylacetamide?
The canonical SMILES for 2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]-N-phenylacetamide is Cc1nn(-c2nc(CC(=O)Nc3ccccc3)cs2)c(C)c1Cc1cccc(F)c1.
What is the InChIKey of 2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]-N-phenylacetamide?
The InChIKey is WRLKXSUEFHIMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4OS/c1-15-21(12-17-7-6-8-18(24)11-17)16(2)28(27-15)23-26-20(14-30-23)13-22(29)25-19-9-4-3-5-10-19/h3-11,14H,12-13H2,1-2H3,(H,25,29).
What are the key properties of 2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]-N-phenylacetamide?
2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]-N-phenylacetamide has a molecular weight of 420.51 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]-N-phenylacetamide is sourced from PubChem (CID 50751077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).