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

C22H19FN4OS — CID 53045303

IUPAC2-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethylpyrazol-4-yl]-N-phenylacetamide
SMILESCc1nn(-c2nc(-c3ccc(F)cc3)cs2)c(C)c1CC(=O)Nc1ccccc1
InChIInChI=1S/C22H19FN4OS/c1-14-19(12-21(28)24-18-6-4-3-5-7-18)15(2)27(26-14)22-25-20(13-29-22)16-8-10-17(23)11-9-16/h3-11,13H,12H2,1-2H3,(H,24,28)
InChIKeyCDCKEQFZCAENKH-UHFFFAOYSA-N
MW406.49 g/mol
LogP4.93
Rot. Bonds5

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

2-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethylpyrazol-4-yl]-N-phenylacetamide (PubChem CID 53045303) has the molecular formula C22H19FN4OS and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethylpyrazol-4-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethylpyrazol-4-yl]-N-phenylacetamide
PubChem CID53045303
Molecular FormulaC22H19FN4OS
Molecular Weight406.49 g/mol
Exact Mass406.13
IUPAC Name2-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethylpyrazol-4-yl]-N-phenylacetamide
SMILESCc1nn(-c2nc(-c3ccc(F)cc3)cs2)c(C)c1CC(=O)Nc1ccccc1
InChIInChI=1S/C22H19FN4OS/c1-14-19(12-21(28)24-18-6-4-3-5-7-18)15(2)27(26-14)22-25-20(13-29-22)16-8-10-17(23)11-9-16/h3-11,13H,12H2,1-2H3,(H,24,28)
InChIKeyCDCKEQFZCAENKH-UHFFFAOYSA-N
XLogP4.93
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethylpyrazol-4-yl]-N-phenylacetamide?
The IUPAC name of 2-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethylpyrazol-4-yl]-N-phenylacetamide (CID 53045303) is 2-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethylpyrazol-4-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethylpyrazol-4-yl]-N-phenylacetamide?
The canonical SMILES for 2-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethylpyrazol-4-yl]-N-phenylacetamide is Cc1nn(-c2nc(-c3ccc(F)cc3)cs2)c(C)c1CC(=O)Nc1ccccc1.
What is the InChIKey of 2-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethylpyrazol-4-yl]-N-phenylacetamide?
The InChIKey is CDCKEQFZCAENKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4OS/c1-14-19(12-21(28)24-18-6-4-3-5-7-18)15(2)27(26-14)22-25-20(13-29-22)16-8-10-17(23)11-9-16/h3-11,13H,12H2,1-2H3,(H,24,28).
What are the key properties of 2-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethylpyrazol-4-yl]-N-phenylacetamide?
2-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethylpyrazol-4-yl]-N-phenylacetamide has a molecular weight of 406.49 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethylpyrazol-4-yl]-N-phenylacetamide is sourced from PubChem (CID 53045303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).