3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one

C20H18FN3O2S — CID 130385853

IUPAC3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one
SMILESCc1c(N2C(=O)CSC2c2cccc(F)c2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C20H18FN3O2S/c1-13-18(19(26)24(22(13)2)16-9-4-3-5-10-16)23-17(25)12-27-20(23)14-7-6-8-15(21)11-14/h3-11,20H,12H2,1-2H3
InChIKeyCTNCJTNLGPNWNJ-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.40
Rot. Bonds3

About 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one

3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one (PubChem CID 130385853) has the molecular formula C20H18FN3O2S and a molecular weight of 383.45 g/mol. Its IUPAC name is 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one
PubChem CID130385853
Molecular FormulaC20H18FN3O2S
Molecular Weight383.45 g/mol
Exact Mass383.11
IUPAC Name3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one
SMILESCc1c(N2C(=O)CSC2c2cccc(F)c2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C20H18FN3O2S/c1-13-18(19(26)24(22(13)2)16-9-4-3-5-10-16)23-17(25)12-27-20(23)14-7-6-8-15(21)11-14/h3-11,20H,12H2,1-2H3
InChIKeyCTNCJTNLGPNWNJ-UHFFFAOYSA-N
XLogP3.40
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one (CID 130385853) is 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one is Cc1c(N2C(=O)CSC2c2cccc(F)c2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one?
The InChIKey is CTNCJTNLGPNWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2S/c1-13-18(19(26)24(22(13)2)16-9-4-3-5-10-16)23-17(25)12-27-20(23)14-7-6-8-15(21)11-14/h3-11,20H,12H2,1-2H3.
What are the key properties of 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one?
3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one has a molecular weight of 383.45 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 130385853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).