[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-(2-fluorophenyl)methanone

C18H18FNOS — CID 42781114

IUPAC[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-(2-fluorophenyl)methanone
SMILESCc1ccc(C2SCCN2C(=O)c2ccccc2F)c(C)c1
InChIInChI=1S/C18H18FNOS/c1-12-7-8-14(13(2)11-12)18-20(9-10-22-18)17(21)15-5-3-4-6-16(15)19/h3-8,11,18H,9-10H2,1-2H3
InChIKeyBLKUFJRAXGWNNW-UHFFFAOYSA-N
MW315.41 g/mol
LogP4.33
Rot. Bonds2

About [2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-(2-fluorophenyl)methanone

[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-(2-fluorophenyl)methanone (PubChem CID 42781114) has the molecular formula C18H18FNOS and a molecular weight of 315.41 g/mol. Its IUPAC name is [2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-(2-fluorophenyl)methanone
PubChem CID42781114
Molecular FormulaC18H18FNOS
Molecular Weight315.41 g/mol
Exact Mass315.11
IUPAC Name[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-(2-fluorophenyl)methanone
SMILESCc1ccc(C2SCCN2C(=O)c2ccccc2F)c(C)c1
InChIInChI=1S/C18H18FNOS/c1-12-7-8-14(13(2)11-12)18-20(9-10-22-18)17(21)15-5-3-4-6-16(15)19/h3-8,11,18H,9-10H2,1-2H3
InChIKeyBLKUFJRAXGWNNW-UHFFFAOYSA-N
XLogP4.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone
CID 4079349
1-[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-2-methylpropan-1-one
CID 42781111
[2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-(2-methoxyphenyl)methanone
CID 4246927
[(2R)-2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-(2-methoxyphenyl)methanone
CID 7418809
(2-fluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331527
2,2-dichloro-1-[(2R)-2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 815956
(2R)-2-chloro-1-[(2R)-2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone
CID 816020
1-[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one
CID 4533715
(2,3-dimethylthiomorpholin-4-yl)-(2-fluoro-5-methylphenyl)methanone
CID 113238099
(2-fluorophenyl)-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 1024047
2-(2,4-dimethylphenyl)-N-(2-ethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 5068195
[(2R)-2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-(4-methyl-3-nitrophenyl)methanone
CID 1024667

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-(2-fluorophenyl)methanone (CID 42781114) is [2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-(2-fluorophenyl)methanone is Cc1ccc(C2SCCN2C(=O)c2ccccc2F)c(C)c1.
What is the InChIKey of [2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-(2-fluorophenyl)methanone?
The InChIKey is BLKUFJRAXGWNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNOS/c1-12-7-8-14(13(2)11-12)18-20(9-10-22-18)17(21)15-5-3-4-6-16(15)19/h3-8,11,18H,9-10H2,1-2H3.
What are the key properties of [2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-(2-fluorophenyl)methanone?
[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-(2-fluorophenyl)methanone has a molecular weight of 315.41 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 42781114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).