N-(2-fluorophenyl)-3-propyl-1,3-thiazolidin-2-imine

C12H15FN2S — CID 4846656

IUPACN-(2-fluorophenyl)-3-propyl-1,3-thiazolidin-2-imine
SMILESCCCN1CCS/C1=N/c1ccccc1F
InChIInChI=1S/C12H15FN2S/c1-2-7-15-8-9-16-12(15)14-11-6-4-3-5-10(11)13/h3-6H,2,7-9H2,1H3/b14-12+
InChIKeyCRPCUXZCKZDBQJ-WYMLVPIESA-N
MW238.33 g/mol
LogP3.27
Rot. Bonds3

About N-(2-fluorophenyl)-3-propyl-1,3-thiazolidin-2-imine

N-(2-fluorophenyl)-3-propyl-1,3-thiazolidin-2-imine (PubChem CID 4846656) has the molecular formula C12H15FN2S and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-propyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-propyl-1,3-thiazolidin-2-imine
PubChem CID4846656
Molecular FormulaC12H15FN2S
Molecular Weight238.33 g/mol
Exact Mass238.09
IUPAC NameN-(2-fluorophenyl)-3-propyl-1,3-thiazolidin-2-imine
SMILESCCCN1CCS/C1=N/c1ccccc1F
InChIInChI=1S/C12H15FN2S/c1-2-7-15-8-9-16-12(15)14-11-6-4-3-5-10(11)13/h3-6H,2,7-9H2,1H3/b14-12+
InChIKeyCRPCUXZCKZDBQJ-WYMLVPIESA-N
XLogP3.27
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-propyl-1,3-thiazolidin-2-imine?
The IUPAC name of N-(2-fluorophenyl)-3-propyl-1,3-thiazolidin-2-imine (CID 4846656) is N-(2-fluorophenyl)-3-propyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-(2-fluorophenyl)-3-propyl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-(2-fluorophenyl)-3-propyl-1,3-thiazolidin-2-imine is CCCN1CCS/C1=N/c1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-3-propyl-1,3-thiazolidin-2-imine?
The InChIKey is CRPCUXZCKZDBQJ-WYMLVPIESA-N. The full InChI is InChI=1S/C12H15FN2S/c1-2-7-15-8-9-16-12(15)14-11-6-4-3-5-10(11)13/h3-6H,2,7-9H2,1H3/b14-12+.
What are the key properties of N-(2-fluorophenyl)-3-propyl-1,3-thiazolidin-2-imine?
N-(2-fluorophenyl)-3-propyl-1,3-thiazolidin-2-imine has a molecular weight of 238.33 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-propyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 4846656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).