2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone

C20H25FN4O4S2 — CID 41176177

IUPAC2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone
SMILESCc1nn(CC(=O)N2CCS[C@@H]2c2ccccc2F)c(C)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H25FN4O4S2/c1-14-19(31(27,28)23-7-10-29-11-8-23)15(2)25(22-14)13-18(26)24-9-12-30-20(24)16-5-3-4-6-17(16)21/h3-6,20H,7-13H2,1-2H3/t20-/m1/s1
InChIKeyJOPCIXUIUSDJAE-HXUWFJFHSA-N
MW468.58 g/mol
LogP1.93
Rot. Bonds5

About 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone

2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone (PubChem CID 41176177) has the molecular formula C20H25FN4O4S2 and a molecular weight of 468.58 g/mol. Its IUPAC name is 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone
PubChem CID41176177
Molecular FormulaC20H25FN4O4S2
Molecular Weight468.58 g/mol
Exact Mass468.13
IUPAC Name2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone
SMILESCc1nn(CC(=O)N2CCS[C@@H]2c2ccccc2F)c(C)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H25FN4O4S2/c1-14-19(31(27,28)23-7-10-29-11-8-23)15(2)25(22-14)13-18(26)24-9-12-30-20(24)16-5-3-4-6-17(16)21/h3-6,20H,7-13H2,1-2H3/t20-/m1/s1
InChIKeyJOPCIXUIUSDJAE-HXUWFJFHSA-N
XLogP1.93
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-fluorophenyl)acetamide
CID 8561748
2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide
CID 8561821
N-benzyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-methylacetamide
CID 8561430
2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 8562074
1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)ethanone
CID 17411925
1-(4-tert-butylphenyl)-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)ethanone
CID 9473665
3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 92710873
N-cyclopropyl-3-[[2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetyl]amino]benzamide
CID 24582052
3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 92710870
(5S)-3-[2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 40767239
(5R)-3-[2-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 40767243
1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone
CID 7482427

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone?
The IUPAC name of 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone (CID 41176177) is 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone is Cc1nn(CC(=O)N2CCS[C@@H]2c2ccccc2F)c(C)c1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone?
The InChIKey is JOPCIXUIUSDJAE-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H25FN4O4S2/c1-14-19(31(27,28)23-7-10-29-11-8-23)15(2)25(22-14)13-18(26)24-9-12-30-20(24)16-5-3-4-6-17(16)21/h3-6,20H,7-13H2,1-2H3/t20-/m1/s1.
What are the key properties of 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone?
2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone has a molecular weight of 468.58 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone is sourced from PubChem (CID 41176177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).