4-ethyl-2-[(3-fluorophenyl)methyl]-2-methyl-1,3-thiazolidine

C13H18FNS — CID 114834372

IUPAC4-ethyl-2-[(3-fluorophenyl)methyl]-2-methyl-1,3-thiazolidine
SMILESCCC1CSC(C)(Cc2cccc(F)c2)N1
InChIInChI=1S/C13H18FNS/c1-3-12-9-16-13(2,15-12)8-10-5-4-6-11(14)7-10/h4-7,12,15H,3,8-9H2,1-2H3
InChIKeyBEGMOOUVTYVJKO-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.20
Rot. Bonds3

About 4-ethyl-2-[(3-fluorophenyl)methyl]-2-methyl-1,3-thiazolidine

4-ethyl-2-[(3-fluorophenyl)methyl]-2-methyl-1,3-thiazolidine (PubChem CID 114834372) has the molecular formula C13H18FNS and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-ethyl-2-[(3-fluorophenyl)methyl]-2-methyl-1,3-thiazolidine.

Molecular Properties

Compound Name4-ethyl-2-[(3-fluorophenyl)methyl]-2-methyl-1,3-thiazolidine
PubChem CID114834372
Molecular FormulaC13H18FNS
Molecular Weight239.36 g/mol
Exact Mass239.11
IUPAC Name4-ethyl-2-[(3-fluorophenyl)methyl]-2-methyl-1,3-thiazolidine
SMILESCCC1CSC(C)(Cc2cccc(F)c2)N1
InChIInChI=1S/C13H18FNS/c1-3-12-9-16-13(2,15-12)8-10-5-4-6-11(14)7-10/h4-7,12,15H,3,8-9H2,1-2H3
InChIKeyBEGMOOUVTYVJKO-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-fluorophenyl)methyl]-2,4,4-trimethyl-1,3-thiazolidine
CID 114834375
4-ethyl-N-[(3-fluorophenyl)methyl]-1,3-thiazolidin-2-imine
CID 135934664
2-[(3-fluorophenyl)methyl]-2-methyl-1,3-thiazinane
CID 114834360
5-ethyl-4-[(3-fluorophenyl)methyl]-4-methylpyrrolidin-2-one
CID 114834972
3-chloro-3-[(3-fluorophenyl)methyl]thietane
CID 123208925
2-ethyl-2-[(3-fluorophenyl)methyl]azetidine
CID 115058779
1-fluoro-3-[(1-fluorocyclopropyl)methyl]benzene
CID 84717270
4-[(3-fluorophenyl)methyl]-4-methylpyrrolidine-3-carboxylic acid
CID 114834622
2-ethyl-1-[(3-fluorophenyl)methyl]-5,5-dimethylpiperazine
CID 64837932
N-[[2-[(3-fluorophenyl)methyl]-2-methylcyclopropyl]methyl]ethanamine
CID 114834482
ethyl 4-[(3-fluorophenyl)methyl]-4-methylpyrrolidine-3-carboxylate
CID 114834625
N-[[1-[(3-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 65194315

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(3-fluorophenyl)methyl]-2-methyl-1,3-thiazolidine?
The IUPAC name of 4-ethyl-2-[(3-fluorophenyl)methyl]-2-methyl-1,3-thiazolidine (CID 114834372) is 4-ethyl-2-[(3-fluorophenyl)methyl]-2-methyl-1,3-thiazolidine.
What is the SMILES notation for 4-ethyl-2-[(3-fluorophenyl)methyl]-2-methyl-1,3-thiazolidine?
The canonical SMILES for 4-ethyl-2-[(3-fluorophenyl)methyl]-2-methyl-1,3-thiazolidine is CCC1CSC(C)(Cc2cccc(F)c2)N1.
What is the InChIKey of 4-ethyl-2-[(3-fluorophenyl)methyl]-2-methyl-1,3-thiazolidine?
The InChIKey is BEGMOOUVTYVJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNS/c1-3-12-9-16-13(2,15-12)8-10-5-4-6-11(14)7-10/h4-7,12,15H,3,8-9H2,1-2H3.
What are the key properties of 4-ethyl-2-[(3-fluorophenyl)methyl]-2-methyl-1,3-thiazolidine?
4-ethyl-2-[(3-fluorophenyl)methyl]-2-methyl-1,3-thiazolidine has a molecular weight of 239.36 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(3-fluorophenyl)methyl]-2-methyl-1,3-thiazolidine is sourced from PubChem (CID 114834372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).