3-(3-fluoropropyl)-1,3-thiazolidin-2-imine

C6H11FN2S — CID 57035099

IUPAC3-(3-fluoropropyl)-1,3-thiazolidin-2-imine
SMILES[H]/N=C1\SCCN1CCCF
InChIInChI=1S/C6H11FN2S/c7-2-1-3-9-4-5-10-6(9)8/h8H,1-5H2/b8-6-
InChIKeyQJFKFYQMBLAWLM-VURMDHGXSA-N
MW162.23 g/mol
LogP1.33
Rot. Bonds3

About 3-(3-fluoropropyl)-1,3-thiazolidin-2-imine

3-(3-fluoropropyl)-1,3-thiazolidin-2-imine (PubChem CID 57035099) has the molecular formula C6H11FN2S and a molecular weight of 162.23 g/mol. Its IUPAC name is 3-(3-fluoropropyl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name3-(3-fluoropropyl)-1,3-thiazolidin-2-imine
PubChem CID57035099
Molecular FormulaC6H11FN2S
Molecular Weight162.23 g/mol
Exact Mass162.06
IUPAC Name3-(3-fluoropropyl)-1,3-thiazolidin-2-imine
SMILES[H]/N=C1\SCCN1CCCF
InChIInChI=1S/C6H11FN2S/c7-2-1-3-9-4-5-10-6(9)8/h8H,1-5H2/b8-6-
InChIKeyQJFKFYQMBLAWLM-VURMDHGXSA-N
XLogP1.33
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 51.33
H-Bond Donors ≤ 51
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 3-(3-fluoropropyl)-1,3-thiazolidin-2-imine?
The IUPAC name of 3-(3-fluoropropyl)-1,3-thiazolidin-2-imine (CID 57035099) is 3-(3-fluoropropyl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for 3-(3-fluoropropyl)-1,3-thiazolidin-2-imine?
The canonical SMILES for 3-(3-fluoropropyl)-1,3-thiazolidin-2-imine is [H]/N=C1\SCCN1CCCF.
What is the InChIKey of 3-(3-fluoropropyl)-1,3-thiazolidin-2-imine?
The InChIKey is QJFKFYQMBLAWLM-VURMDHGXSA-N. The full InChI is InChI=1S/C6H11FN2S/c7-2-1-3-9-4-5-10-6(9)8/h8H,1-5H2/b8-6-.
What are the key properties of 3-(3-fluoropropyl)-1,3-thiazolidin-2-imine?
3-(3-fluoropropyl)-1,3-thiazolidin-2-imine has a molecular weight of 162.23 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropropyl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 57035099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).