[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone

C22H21NOS — CID 4079349

IUPAC[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone
SMILESCc1ccc(C2SCCN2C(=O)c2cccc3ccccc23)c(C)c1
InChIInChI=1S/C22H21NOS/c1-15-10-11-18(16(2)14-15)22-23(12-13-25-22)21(24)20-9-5-7-17-6-3-4-8-19(17)20/h3-11,14,22H,12-13H2,1-2H3
InChIKeyKZQBCUYRJDBGES-UHFFFAOYSA-N
MW347.48 g/mol
LogP5.34
Rot. Bonds2

About [2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone

[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone (PubChem CID 4079349) has the molecular formula C22H21NOS and a molecular weight of 347.48 g/mol. Its IUPAC name is [2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone
PubChem CID4079349
Molecular FormulaC22H21NOS
Molecular Weight347.48 g/mol
Exact Mass347.13
IUPAC Name[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone
SMILESCc1ccc(C2SCCN2C(=O)c2cccc3ccccc23)c(C)c1
InChIInChI=1S/C22H21NOS/c1-15-10-11-18(16(2)14-15)22-23(12-13-25-22)21(24)20-9-5-7-17-6-3-4-8-19(17)20/h3-11,14,22H,12-13H2,1-2H3
InChIKeyKZQBCUYRJDBGES-UHFFFAOYSA-N
XLogP5.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.48
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-(2-fluorophenyl)methanone
CID 42781114
[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone
CID 4112872
[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone
CID 46125544
1-[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-2-methylpropan-1-one
CID 42781111
naphthalen-1-yl-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 3647053
1-[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one
CID 4533715
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
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
[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methoxyphenyl)methanone
CID 7289014
[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone
CID 4062642

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone (CID 4079349) is [2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone is Cc1ccc(C2SCCN2C(=O)c2cccc3ccccc23)c(C)c1.
What is the InChIKey of [2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone?
The InChIKey is KZQBCUYRJDBGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NOS/c1-15-10-11-18(16(2)14-15)22-23(12-13-25-22)21(24)20-9-5-7-17-6-3-4-8-19(17)20/h3-11,14,22H,12-13H2,1-2H3.
What are the key properties of [2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone?
[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone has a molecular weight of 347.48 g/mol, XLogP of 5.34, 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]-naphthalen-1-ylmethanone is sourced from PubChem (CID 4079349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).