5-(4-ethyl-1,3-thiazolidin-2-yl)-2-fluorobenzonitrile

C12H13FN2S — CID 107936736

IUPAC5-(4-ethyl-1,3-thiazolidin-2-yl)-2-fluorobenzonitrile
SMILESCCC1CSC(c2ccc(F)c(C#N)c2)N1
InChIInChI=1S/C12H13FN2S/c1-2-10-7-16-12(15-10)8-3-4-11(13)9(5-8)6-14/h3-5,10,12,15H,2,7H2,1H3
InChIKeySOGDYQPFDCSIEG-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.81
Rot. Bonds2

About 5-(4-ethyl-1,3-thiazolidin-2-yl)-2-fluorobenzonitrile

5-(4-ethyl-1,3-thiazolidin-2-yl)-2-fluorobenzonitrile (PubChem CID 107936736) has the molecular formula C12H13FN2S and a molecular weight of 236.31 g/mol. Its IUPAC name is 5-(4-ethyl-1,3-thiazolidin-2-yl)-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-(4-ethyl-1,3-thiazolidin-2-yl)-2-fluorobenzonitrile
PubChem CID107936736
Molecular FormulaC12H13FN2S
Molecular Weight236.31 g/mol
Exact Mass236.08
IUPAC Name5-(4-ethyl-1,3-thiazolidin-2-yl)-2-fluorobenzonitrile
SMILESCCC1CSC(c2ccc(F)c(C#N)c2)N1
InChIInChI=1S/C12H13FN2S/c1-2-10-7-16-12(15-10)8-3-4-11(13)9(5-8)6-14/h3-5,10,12,15H,2,7H2,1H3
InChIKeySOGDYQPFDCSIEG-UHFFFAOYSA-N
XLogP2.81
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-difluorophenyl)-4-ethyl-1,3-thiazolidine
CID 66229355
2-(2-chloro-6-fluorophenyl)-4-ethyl-1,3-thiazolidine
CID 66231451
2-fluoro-5-piperidin-4-ylbenzonitrile
CID 16679511
5-[2-(ethylaminomethyl)cyclopropyl]-2-fluorobenzonitrile
CID 107936744
2-fluoro-5-(1-methyl-2H-pyridin-2-yl)benzonitrile
CID 144806361
5-[(dicyclopropylmethylamino)methyl]-2-fluorobenzonitrile
CID 103758329
2-fluoro-5-[[methyl-[(3S)-thiolan-3-yl]amino]methyl]benzonitrile
CID 97093601
5-(ethylamino)-2-fluorobenzonitrile
CID 62316083
5-(3-amino-1-methylpiperidin-2-yl)-2-fluorobenzonitrile
CID 107936960
3-(4-bromophenyl)-5-ethyl-2-methylthiomorpholine
CID 66228189
5-[(4S)-5,5-difluoro-2-oxo-1,3-oxazinan-4-yl]-2-fluorobenzonitrile
CID 171187095
2-fluoro-5-(4-oxo-2,3-dihydropyran-2-yl)benzonitrile
CID 107937001

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethyl-1,3-thiazolidin-2-yl)-2-fluorobenzonitrile?
The IUPAC name of 5-(4-ethyl-1,3-thiazolidin-2-yl)-2-fluorobenzonitrile (CID 107936736) is 5-(4-ethyl-1,3-thiazolidin-2-yl)-2-fluorobenzonitrile.
What is the SMILES notation for 5-(4-ethyl-1,3-thiazolidin-2-yl)-2-fluorobenzonitrile?
The canonical SMILES for 5-(4-ethyl-1,3-thiazolidin-2-yl)-2-fluorobenzonitrile is CCC1CSC(c2ccc(F)c(C#N)c2)N1.
What is the InChIKey of 5-(4-ethyl-1,3-thiazolidin-2-yl)-2-fluorobenzonitrile?
The InChIKey is SOGDYQPFDCSIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2S/c1-2-10-7-16-12(15-10)8-3-4-11(13)9(5-8)6-14/h3-5,10,12,15H,2,7H2,1H3.
What are the key properties of 5-(4-ethyl-1,3-thiazolidin-2-yl)-2-fluorobenzonitrile?
5-(4-ethyl-1,3-thiazolidin-2-yl)-2-fluorobenzonitrile has a molecular weight of 236.31 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethyl-1,3-thiazolidin-2-yl)-2-fluorobenzonitrile is sourced from PubChem (CID 107936736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).