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

C15H17ClFNOS — CID 44583143

IUPAC2-(2-chloro-6-fluorophenyl)-3-(2,4-dimethylcyclobutyl)-1,3-thiazolidin-4-one
SMILESCC1CC(C)C1N1C(=O)CSC1c1c(F)cccc1Cl
InChIInChI=1S/C15H17ClFNOS/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
InChIKeyPJWHMJWKJPRHET-UHFFFAOYSA-N
MW313.83 g/mol
LogP4.10
Rot. Bonds2

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

2-(2-chloro-6-fluorophenyl)-3-(2,4-dimethylcyclobutyl)-1,3-thiazolidin-4-one (PubChem CID 44583143) has the molecular formula C15H17ClFNOS and a molecular weight of 313.83 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-3-(2,4-dimethylcyclobutyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-3-(2,4-dimethylcyclobutyl)-1,3-thiazolidin-4-one
PubChem CID44583143
Molecular FormulaC15H17ClFNOS
Molecular Weight313.83 g/mol
Exact Mass313.07
IUPAC Name2-(2-chloro-6-fluorophenyl)-3-(2,4-dimethylcyclobutyl)-1,3-thiazolidin-4-one
SMILESCC1CC(C)C1N1C(=O)CSC1c1c(F)cccc1Cl
InChIInChI=1S/C15H17ClFNOS/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
InChIKeyPJWHMJWKJPRHET-UHFFFAOYSA-N
XLogP4.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Thiazolidinone, 2-(4-chlorophenyl)-3-cyclohexyl-
CID 3272082
2-(2-Chlorophenyl)-1,3-thiazolidin-4-one
CID 3121283
2-(3-Chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one
CID 2860026
3-[3-(Dimethylamino)propyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one hydrochloride
CID 2872049
2-(2-Chlorophenyl)-5-methyl-1,3-thiazolidin-4-one
CID 2872214
3-[3-(Dimethylamino)propyl]-2-(3-fluorophenyl)-1,3-thiazolidin-4-one;hydrochloride
CID 49860519
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 9467651
2-(4-Chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one
CID 2861271
2-(3-Chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one hydrochloride
CID 2860025
2-(4-Chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride
CID 2861270
3-Cyclohexyl-2-(2,3-dichlorophenyl)-1,3-thiazolidin-4-one
CID 5011007
1-[(2R)-2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 44360389

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-3-(2,4-dimethylcyclobutyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-3-(2,4-dimethylcyclobutyl)-1,3-thiazolidin-4-one (CID 44583143) is 2-(2-chloro-6-fluorophenyl)-3-(2,4-dimethylcyclobutyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-3-(2,4-dimethylcyclobutyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-3-(2,4-dimethylcyclobutyl)-1,3-thiazolidin-4-one is CC1CC(C)C1N1C(=O)CSC1c1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-3-(2,4-dimethylcyclobutyl)-1,3-thiazolidin-4-one?
The InChIKey is PJWHMJWKJPRHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNOS/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-chloro-6-fluorophenyl)-3-(2,4-dimethylcyclobutyl)-1,3-thiazolidin-4-one?
2-(2-chloro-6-fluorophenyl)-3-(2,4-dimethylcyclobutyl)-1,3-thiazolidin-4-one has a molecular weight of 313.83 g/mol, XLogP of 4.10, 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-(2,4-dimethylcyclobutyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 44583143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).