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

C6H12BrFN2S — CID 67658627

IUPAC3-(3-fluoropropyl)-1,3-thiazolidin-2-imine;hydrobromide
SMILESBr.[H]/N=C1\SCCN1CCCF
InChIInChI=1S/C6H11FN2S.BrH/c7-2-1-3-9-4-5-10-6(9)8;/h8H,1-5H2;1H/b8-6-;
InChIKeyMVBQQXGUOWKLDY-PHZXCRFESA-N
MW243.14 g/mol
LogP1.91
Rot. Bonds3

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

3-(3-fluoropropyl)-1,3-thiazolidin-2-imine;hydrobromide (PubChem CID 67658627) has the molecular formula C6H12BrFN2S and a molecular weight of 243.14 g/mol. Its IUPAC name is 3-(3-fluoropropyl)-1,3-thiazolidin-2-imine;hydrobromide.

Molecular Properties

Compound Name3-(3-fluoropropyl)-1,3-thiazolidin-2-imine;hydrobromide
PubChem CID67658627
Molecular FormulaC6H12BrFN2S
Molecular Weight243.14 g/mol
Exact Mass241.99
IUPAC Name3-(3-fluoropropyl)-1,3-thiazolidin-2-imine;hydrobromide
SMILESBr.[H]/N=C1\SCCN1CCCF
InChIInChI=1S/C6H11FN2S.BrH/c7-2-1-3-9-4-5-10-6(9)8;/h8H,1-5H2;1H/b8-6-;
InChIKeyMVBQQXGUOWKLDY-PHZXCRFESA-N
XLogP1.91
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 51.91
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

3-Propyl-1,3-thiazolidin-2-imine;hydrobromide
CID 90654238
2-Imino-3,5-dimethylthiazolidine
CID 5131681
Thiazolium, 4,5-dihydro-2-amino-3-methyl-, bromide
CID 205098
Thiazolium, 4-5-dihydro-2-amino-3-ethyl-, bromide
CID 216946
3-Prop-2-ynyl-1,3-thiazolidin-2-imine;hydrobromide
CID 90654239
3-Ethyl-1,3-thiazolidin-2-imine
CID 216947
3-(3-Fluoropropyl)-1,3-thiazolidin-2-imine
CID 57035099
3-(3,3,3-Trifluoropropyl)-1,3-thiazolidin-2-imine
CID 67812852
Methyl 3-fluoropyrrolidine-1-carboximidothioate
CID 123348675
methyl (3R)-3-fluoropyrrolidine-1-carboximidothioate
CID 144377843
2-Imino-3,5-dimethylthiazolidine hydroiodide
CID 16241292
2-Pyrrolidin-1-ylethyl carbamimidothioate
CID 116326

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropropyl)-1,3-thiazolidin-2-imine;hydrobromide?
The IUPAC name of 3-(3-fluoropropyl)-1,3-thiazolidin-2-imine;hydrobromide (CID 67658627) is 3-(3-fluoropropyl)-1,3-thiazolidin-2-imine;hydrobromide.
What is the SMILES notation for 3-(3-fluoropropyl)-1,3-thiazolidin-2-imine;hydrobromide?
The canonical SMILES for 3-(3-fluoropropyl)-1,3-thiazolidin-2-imine;hydrobromide is Br.[H]/N=C1\SCCN1CCCF.
What is the InChIKey of 3-(3-fluoropropyl)-1,3-thiazolidin-2-imine;hydrobromide?
The InChIKey is MVBQQXGUOWKLDY-PHZXCRFESA-N. The full InChI is InChI=1S/C6H11FN2S.BrH/c7-2-1-3-9-4-5-10-6(9)8;/h8H,1-5H2;1H/b8-6-;.
What are the key properties of 3-(3-fluoropropyl)-1,3-thiazolidin-2-imine;hydrobromide?
3-(3-fluoropropyl)-1,3-thiazolidin-2-imine;hydrobromide has a molecular weight of 243.14 g/mol, XLogP of 1.91, 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;hydrobromide is sourced from PubChem (CID 67658627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).