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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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).