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

C20H18FN3O2S — CID 171977842

IUPAC2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one
SMILESCc1c(C2SCC(=O)N2c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C20H18FN3O2S/c1-13-18(19(26)24(22(13)2)16-6-4-3-5-7-16)20-23(17(25)12-27-20)15-10-8-14(21)9-11-15/h3-11,20H,12H2,1-2H3
InChIKeyZIJWDOZDVUWUCJ-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.40
Rot. Bonds3

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

2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one (PubChem CID 171977842) has the molecular formula C20H18FN3O2S and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one
PubChem CID171977842
Molecular FormulaC20H18FN3O2S
Molecular Weight383.45 g/mol
Exact Mass383.11
IUPAC Name2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one
SMILESCc1c(C2SCC(=O)N2c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C20H18FN3O2S/c1-13-18(19(26)24(22(13)2)16-6-4-3-5-7-16)20-23(17(25)12-27-20)15-10-8-14(21)9-11-15/h3-11,20H,12H2,1-2H3
InChIKeyZIJWDOZDVUWUCJ-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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Related Compounds

3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
CID 3850974
3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-phenyl-1,3-thiazolidin-4-one
CID 402949
1,5-Dimethyl-2-phenyl-4-(thiomorpholin-4-ylmethyl)pyrazol-3-one
CID 2818770
2-(1-Methyl-1,2,5,6-tetrahydropyridin-3-yl)-3-phenyl-thiazolidin-4-one
CID 44612791
8-Butanoyl-4-(4-fluorophenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 46112846
8-Acetyl-4-(4-fluorophenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 46112853
8-(Cyclopropanecarbonyl)-4-(4-fluorophenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 46112855
3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-fluorophenyl)-1,3-thiazolidin-4-one
CID 16044745
5-(Morpholin-4-yl)pyridin-3-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate
CID 130385853
3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)propanamide
CID 45976883
4-{[2-(4-fluorophenyl)-1-pyrrolidinyl]methyl}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
CID 56917519
2-Butyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-1,3-thiazolidin-4-one
CID 23054979

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one (CID 171977842) is 2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one is Cc1c(C2SCC(=O)N2c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one?
The InChIKey is ZIJWDOZDVUWUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2S/c1-13-18(19(26)24(22(13)2)16-6-4-3-5-7-16)20-23(17(25)12-27-20)15-10-8-14(21)9-11-15/h3-11,20H,12H2,1-2H3.
What are the key properties of 2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one?
2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-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 2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 171977842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).