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

C14H15ClFNOS — CID 44583097

IUPAC2-(2-chloro-6-fluorophenyl)-3-(2-methylcyclobutyl)-1,3-thiazolidin-4-one
SMILESCC1CCC1N1C(=O)CSC1c1c(F)cccc1Cl
InChIInChI=1S/C14H15ClFNOS/c1-8-5-6-11(8)17-12(18)7-19-14(17)13-9(15)3-2-4-10(13)16/h2-4,8,11,14H,5-7H2,1H3
InChIKeyRNCIKSFPMLXWTL-UHFFFAOYSA-N
MW299.80 g/mol
LogP3.85
Rot. Bonds2

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

2-(2-chloro-6-fluorophenyl)-3-(2-methylcyclobutyl)-1,3-thiazolidin-4-one (PubChem CID 44583097) has the molecular formula C14H15ClFNOS and a molecular weight of 299.80 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-3-(2-methylcyclobutyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-3-(2-methylcyclobutyl)-1,3-thiazolidin-4-one
PubChem CID44583097
Molecular FormulaC14H15ClFNOS
Molecular Weight299.80 g/mol
Exact Mass299.05
IUPAC Name2-(2-chloro-6-fluorophenyl)-3-(2-methylcyclobutyl)-1,3-thiazolidin-4-one
SMILESCC1CCC1N1C(=O)CSC1c1c(F)cccc1Cl
InChIInChI=1S/C14H15ClFNOS/c1-8-5-6-11(8)17-12(18)7-19-14(17)13-9(15)3-2-4-10(13)16/h2-4,8,11,14H,5-7H2,1H3
InChIKeyRNCIKSFPMLXWTL-UHFFFAOYSA-N
XLogP3.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 53.85
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-methylcyclobutyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-3-(2-methylcyclobutyl)-1,3-thiazolidin-4-one (CID 44583097) is 2-(2-chloro-6-fluorophenyl)-3-(2-methylcyclobutyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-3-(2-methylcyclobutyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-3-(2-methylcyclobutyl)-1,3-thiazolidin-4-one is CC1CCC1N1C(=O)CSC1c1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-3-(2-methylcyclobutyl)-1,3-thiazolidin-4-one?
The InChIKey is RNCIKSFPMLXWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNOS/c1-8-5-6-11(8)17-12(18)7-19-14(17)13-9(15)3-2-4-10(13)16/h2-4,8,11,14H,5-7H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-3-(2-methylcyclobutyl)-1,3-thiazolidin-4-one?
2-(2-chloro-6-fluorophenyl)-3-(2-methylcyclobutyl)-1,3-thiazolidin-4-one has a molecular weight of 299.80 g/mol, XLogP of 3.85, 2 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-methylcyclobutyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 44583097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).