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

C20H15Cl2NOS — CID 46125544

IUPAC[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)N1CCSC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H15Cl2NOS/c21-14-8-9-17(18(22)12-14)20-23(10-11-25-20)19(24)16-7-3-5-13-4-1-2-6-15(13)16/h1-9,12,20H,10-11H2
InChIKeyCEFKRBGQFMAZGS-UHFFFAOYSA-N
MW388.32 g/mol
LogP6.03
Rot. Bonds2

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

[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone (PubChem CID 46125544) has the molecular formula C20H15Cl2NOS and a molecular weight of 388.32 g/mol. Its IUPAC name is [2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone
PubChem CID46125544
Molecular FormulaC20H15Cl2NOS
Molecular Weight388.32 g/mol
Exact Mass387.03
IUPAC Name[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)N1CCSC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H15Cl2NOS/c21-14-8-9-17(18(22)12-14)20-23(10-11-25-20)19(24)16-7-3-5-13-4-1-2-6-15(13)16/h1-9,12,20H,10-11H2
InChIKeyCEFKRBGQFMAZGS-UHFFFAOYSA-N
XLogP6.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.32
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-phenylmethanone
CID 7396529
2-(2,4-dichlorophenyl)-N-naphthalen-1-yl-1,3-thiazolidine-3-carboxamide
CID 4691559
[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone
CID 4079349
[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(furan-2-yl)methanone
CID 5152837
[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(3,5-dimethylphenyl)methanone
CID 122330981
[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone
CID 4112872
1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one
CID 4601348
naphthalen-1-yl-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 3647053
1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-methoxyethanone
CID 4127667
[(2S)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,4-dichlorophenyl)methanone
CID 7438620
1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone
CID 122331088
[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 4062611

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone (CID 46125544) is [2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone is O=C(c1cccc2ccccc12)N1CCSC1c1ccc(Cl)cc1Cl.
What is the InChIKey of [2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone?
The InChIKey is CEFKRBGQFMAZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2NOS/c21-14-8-9-17(18(22)12-14)20-23(10-11-25-20)19(24)16-7-3-5-13-4-1-2-6-15(13)16/h1-9,12,20H,10-11H2.
What are the key properties of [2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone?
[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone has a molecular weight of 388.32 g/mol, XLogP of 6.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 46125544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).