2-(2-chloro-6-fluorophenyl)-3-(2-ethylcyclobutyl)-1,3-thiazolidin-4-one

C15H17ClFNOS — CID 44583100

IUPAC2-(2-chloro-6-fluorophenyl)-3-(2-ethylcyclobutyl)-1,3-thiazolidin-4-one
SMILESCCC1CCC1N1C(=O)CSC1c1c(F)cccc1Cl
InChIInChI=1S/C15H17ClFNOS/c1-2-9-6-7-12(9)18-13(19)8-20-15(18)14-10(16)4-3-5-11(14)17/h3-5,9,12,15H,2,6-8H2,1H3
InChIKeyRNLSNLFZBURDLT-UHFFFAOYSA-N
MW313.83 g/mol
LogP4.24
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-3-(2-ethylcyclobutyl)-1,3-thiazolidin-4-one

2-(2-chloro-6-fluorophenyl)-3-(2-ethylcyclobutyl)-1,3-thiazolidin-4-one (PubChem CID 44583100) has the molecular formula C15H17ClFNOS and a molecular weight of 313.83 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-3-(2-ethylcyclobutyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-3-(2-ethylcyclobutyl)-1,3-thiazolidin-4-one
PubChem CID44583100
Molecular FormulaC15H17ClFNOS
Molecular Weight313.83 g/mol
Exact Mass313.07
IUPAC Name2-(2-chloro-6-fluorophenyl)-3-(2-ethylcyclobutyl)-1,3-thiazolidin-4-one
SMILESCCC1CCC1N1C(=O)CSC1c1c(F)cccc1Cl
InChIInChI=1S/C15H17ClFNOS/c1-2-9-6-7-12(9)18-13(19)8-20-15(18)14-10(16)4-3-5-11(14)17/h3-5,9,12,15H,2,6-8H2,1H3
InChIKeyRNLSNLFZBURDLT-UHFFFAOYSA-N
XLogP4.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-3-(2-ethylcyclobutyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-3-(2-ethylcyclobutyl)-1,3-thiazolidin-4-one (CID 44583100) is 2-(2-chloro-6-fluorophenyl)-3-(2-ethylcyclobutyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-3-(2-ethylcyclobutyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-3-(2-ethylcyclobutyl)-1,3-thiazolidin-4-one is CCC1CCC1N1C(=O)CSC1c1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-3-(2-ethylcyclobutyl)-1,3-thiazolidin-4-one?
The InChIKey is RNLSNLFZBURDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNOS/c1-2-9-6-7-12(9)18-13(19)8-20-15(18)14-10(16)4-3-5-11(14)17/h3-5,9,12,15H,2,6-8H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-3-(2-ethylcyclobutyl)-1,3-thiazolidin-4-one?
2-(2-chloro-6-fluorophenyl)-3-(2-ethylcyclobutyl)-1,3-thiazolidin-4-one has a molecular weight of 313.83 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-3-(2-ethylcyclobutyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 44583100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).