3-(3,5-dimethylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one

C17H16FNOS — CID 4519425

IUPAC3-(3,5-dimethylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one
SMILESCc1cc(C)cc(N2C(=O)CSC2c2cccc(F)c2)c1
InChIInChI=1S/C17H16FNOS/c1-11-6-12(2)8-15(7-11)19-16(20)10-21-17(19)13-4-3-5-14(18)9-13/h3-9,17H,10H2,1-2H3
InChIKeyCOZUSYZMKQEIRU-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.22
Rot. Bonds2

About 3-(3,5-dimethylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one

3-(3,5-dimethylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one (PubChem CID 4519425) has the molecular formula C17H16FNOS and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one
PubChem CID4519425
Molecular FormulaC17H16FNOS
Molecular Weight301.39 g/mol
Exact Mass301.09
IUPAC Name3-(3,5-dimethylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one
SMILESCc1cc(C)cc(N2C(=O)CSC2c2cccc(F)c2)c1
InChIInChI=1S/C17H16FNOS/c1-11-6-12(2)8-15(7-11)19-16(20)10-21-17(19)13-4-3-5-14(18)9-13/h3-9,17H,10H2,1-2H3
InChIKeyCOZUSYZMKQEIRU-UHFFFAOYSA-N
XLogP4.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Diphenyl-4-thiazolidinone
CID 98327
2-(3-Nitrophenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 2844802
2-(4-Methylphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 3107224
4-(3-Methylphenyl)-1-thia-4-azaspiro[4.5]decan-3-one
CID 3277826
N-[4-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)phenyl]acetamide
CID 3630500
3-(2-Fluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
CID 4245289
3-(2-Fluorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
CID 5043536
3-(2,4-Difluorophenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 5129446
3-(2-Fluorophenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 5129447
3-(4-Fluorophenyl)-2-(4-(methylsulfonyl)phenyl)thiazolidin-4-one
CID 10405693
2,2,5,5-Tetramethyl-3-[4-(4-m-tolyl-piperazin-1-yl)-butyl]-thiazolidin-4-one
CID 10572440
2,2-Dimethyl-3-[4-(4-m-tolyl-piperazin-1-yl)-butyl]-thiazolidin-4-one
CID 10594773

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(3,5-dimethylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one (CID 4519425) is 3-(3,5-dimethylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(3,5-dimethylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one is Cc1cc(C)cc(N2C(=O)CSC2c2cccc(F)c2)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one?
The InChIKey is COZUSYZMKQEIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNOS/c1-11-6-12(2)8-15(7-11)19-16(20)10-21-17(19)13-4-3-5-14(18)9-13/h3-9,17H,10H2,1-2H3.
What are the key properties of 3-(3,5-dimethylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one?
3-(3,5-dimethylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one has a molecular weight of 301.39 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 4519425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).