N-[2-(4-fluorophenyl)ethyl]-4-methyl-1,3-thiazolidin-2-imine

C12H15FN2S — CID 135934566

IUPACN-[2-(4-fluorophenyl)ethyl]-4-methyl-1,3-thiazolidin-2-imine
SMILESCC1CS/C(=N/CCc2ccc(F)cc2)N1
InChIInChI=1S/C12H15FN2S/c1-9-8-16-12(15-9)14-7-6-10-2-4-11(13)5-3-10/h2-5,9H,6-8H2,1H3,(H,14,15)
InChIKeyMWQHZKOENAVSIC-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.45
Rot. Bonds3

About N-[2-(4-fluorophenyl)ethyl]-4-methyl-1,3-thiazolidin-2-imine

N-[2-(4-fluorophenyl)ethyl]-4-methyl-1,3-thiazolidin-2-imine (PubChem CID 135934566) has the molecular formula C12H15FN2S and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-4-methyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-4-methyl-1,3-thiazolidin-2-imine
PubChem CID135934566
Molecular FormulaC12H15FN2S
Molecular Weight238.33 g/mol
Exact Mass238.09
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-4-methyl-1,3-thiazolidin-2-imine
SMILESCC1CS/C(=N/CCc2ccc(F)cc2)N1
InChIInChI=1S/C12H15FN2S/c1-9-8-16-12(15-9)14-7-6-10-2-4-11(13)5-3-10/h2-5,9H,6-8H2,1H3,(H,14,15)
InChIKeyMWQHZKOENAVSIC-UHFFFAOYSA-N
XLogP2.45
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazolidin-2-imine
CID 135934581
N-[2-(4-fluorophenyl)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine
CID 135934567
4-methyl-N-(4,4,4-trifluorobutyl)-1,3-thiazolidin-2-imine
CID 136952786
4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-imine
CID 135934658
4-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazolidin-2-imine
CID 135934635
N-(cyclohexylmethyl)-4-methyl-1,3-thiazolidin-2-imine
CID 135934689
4-tert-butyl-N-(2-phenylethyl)-1,3-thiazinan-2-imine
CID 136848036
1-(3-chloro-4-methylpentyl)-4-fluorobenzene
CID 63460750
N-[2-(2-methylpyrazol-3-yl)ethyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine
CID 136747373
N'-[2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919526
4-ethyl-4-methyl-N-(2-phenylethyl)-1,3-thiazinan-2-imine
CID 136757035
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine
CID 137000560

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-methyl-1,3-thiazolidin-2-imine?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-methyl-1,3-thiazolidin-2-imine (CID 135934566) is N-[2-(4-fluorophenyl)ethyl]-4-methyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-4-methyl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-4-methyl-1,3-thiazolidin-2-imine is CC1CS/C(=N/CCc2ccc(F)cc2)N1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-4-methyl-1,3-thiazolidin-2-imine?
The InChIKey is MWQHZKOENAVSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2S/c1-9-8-16-12(15-9)14-7-6-10-2-4-11(13)5-3-10/h2-5,9H,6-8H2,1H3,(H,14,15).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-4-methyl-1,3-thiazolidin-2-imine?
N-[2-(4-fluorophenyl)ethyl]-4-methyl-1,3-thiazolidin-2-imine has a molecular weight of 238.33 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-4-methyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 135934566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).