2-(2,6-dichlorophenyl)-3-(2,4-dimethylcyclobutyl)-1,3-thiazolidin-4-one

C15H17Cl2NOS — CID 44583142

IUPAC2-(2,6-dichlorophenyl)-3-(2,4-dimethylcyclobutyl)-1,3-thiazolidin-4-one
SMILESCC1CC(C)C1N1C(=O)CSC1c1c(Cl)cccc1Cl
InChIInChI=1S/C15H17Cl2NOS/c1-8-6-9(2)14(8)18-12(19)7-20-15(18)13-10(16)4-3-5-11(13)17/h3-5,8-9,14-15H,6-7H2,1-2H3
InChIKeyMAJUFIHHLSZWON-UHFFFAOYSA-N
MW330.28 g/mol
LogP4.61
Rot. Bonds2

About 2-(2,6-dichlorophenyl)-3-(2,4-dimethylcyclobutyl)-1,3-thiazolidin-4-one

2-(2,6-dichlorophenyl)-3-(2,4-dimethylcyclobutyl)-1,3-thiazolidin-4-one (PubChem CID 44583142) has the molecular formula C15H17Cl2NOS and a molecular weight of 330.28 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-3-(2,4-dimethylcyclobutyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-3-(2,4-dimethylcyclobutyl)-1,3-thiazolidin-4-one
PubChem CID44583142
Molecular FormulaC15H17Cl2NOS
Molecular Weight330.28 g/mol
Exact Mass329.04
IUPAC Name2-(2,6-dichlorophenyl)-3-(2,4-dimethylcyclobutyl)-1,3-thiazolidin-4-one
SMILESCC1CC(C)C1N1C(=O)CSC1c1c(Cl)cccc1Cl
InChIInChI=1S/C15H17Cl2NOS/c1-8-6-9(2)14(8)18-12(19)7-20-15(18)13-10(16)4-3-5-11(13)17/h3-5,8-9,14-15H,6-7H2,1-2H3
InChIKeyMAJUFIHHLSZWON-UHFFFAOYSA-N
XLogP4.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.28
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-3-(2,4-dimethylcyclobutyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,6-dichlorophenyl)-3-(2,4-dimethylcyclobutyl)-1,3-thiazolidin-4-one (CID 44583142) is 2-(2,6-dichlorophenyl)-3-(2,4-dimethylcyclobutyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-3-(2,4-dimethylcyclobutyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,6-dichlorophenyl)-3-(2,4-dimethylcyclobutyl)-1,3-thiazolidin-4-one is CC1CC(C)C1N1C(=O)CSC1c1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)-3-(2,4-dimethylcyclobutyl)-1,3-thiazolidin-4-one?
The InChIKey is MAJUFIHHLSZWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NOS/c1-8-6-9(2)14(8)18-12(19)7-20-15(18)13-10(16)4-3-5-11(13)17/h3-5,8-9,14-15H,6-7H2,1-2H3.
What are the key properties of 2-(2,6-dichlorophenyl)-3-(2,4-dimethylcyclobutyl)-1,3-thiazolidin-4-one?
2-(2,6-dichlorophenyl)-3-(2,4-dimethylcyclobutyl)-1,3-thiazolidin-4-one has a molecular weight of 330.28 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-3-(2,4-dimethylcyclobutyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 44583142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).