2-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one

C17H16FNOS — CID 22332063

IUPAC2-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCc1ccc(CN2C(=O)CSC2c2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FNOS/c1-12-2-4-13(5-3-12)10-19-16(20)11-21-17(19)14-6-8-15(18)9-7-14/h2-9,17H,10-11H2,1H3
InChIKeyLKGPKSWUKGBKAC-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.91
Rot. Bonds3

About 2-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one

2-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 22332063) has the molecular formula C17H16FNOS and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID22332063
Molecular FormulaC17H16FNOS
Molecular Weight301.39 g/mol
Exact Mass301.09
IUPAC Name2-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCc1ccc(CN2C(=O)CSC2c2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FNOS/c1-12-2-4-13(5-3-12)10-19-16(20)11-21-17(19)14-6-8-15(18)9-7-14/h2-9,17H,10-11H2,1H3
InChIKeyLKGPKSWUKGBKAC-UHFFFAOYSA-N
XLogP3.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Benzyl-2-phenylthiazolidin-4-one
CID 231889
2-(4-Methylphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 3107224
2-(2-Fluorophenyl)-1,3-thiazolan-4-one
CID 2732088
3-Benzyl-5-methyl-2-phenyl-thiazolidin-4-one
CID 2839914
2-(benzylsulfanyl)-N-(4-methylbenzyl)acetamide
CID 817430
2-[(4-fluorobenzyl)thio]-N-[2-(4-methylphenyl)ethyl]acetamide
CID 3324373
N-(4-fluorobenzyl)-2-[(4-methylbenzyl)thio]acetamide
CID 3332623
3-Benzyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 3470012
N-(4-methylbenzyl)-3-[(4-methylbenzyl)thio]propanamide
CID 4086402
N-(4-fluorobenzyl)-2-[(4-fluorobenzyl)thio]acetamide
CID 5045192
3-[(2-fluorobenzyl)thio]-N-(1-phenylethyl)propanamide
CID 5053724
2-phenyl-3-(N,N-dimethylaminopropyl)-1,3-thiazolidin-4-one
CID 126623

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one (CID 22332063) is 2-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one is Cc1ccc(CN2C(=O)CSC2c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is LKGPKSWUKGBKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNOS/c1-12-2-4-13(5-3-12)10-19-16(20)11-21-17(19)14-6-8-15(18)9-7-14/h2-9,17H,10-11H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one?
2-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 301.39 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 22332063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).