3-butyl-1,3-thiazolidin-2-imine;hydroiodide

C7H15IN2S — CID 21475767

IUPAC3-butyl-1,3-thiazolidin-2-imine;hydroiodide
SMILESI.[H]/N=C1\SCCN1CCCC
InChIInChI=1S/C7H14N2S.HI/c1-2-3-4-9-5-6-10-7(9)8;/h8H,2-6H2,1H3;1H/b8-7-;
InChIKeyIICDBRUUHBUZAS-CFYXSCKTSA-N
MW286.18 g/mol
LogP2.39
Rot. Bonds3

About 3-butyl-1,3-thiazolidin-2-imine;hydroiodide

3-butyl-1,3-thiazolidin-2-imine;hydroiodide (PubChem CID 21475767) has the molecular formula C7H15IN2S and a molecular weight of 286.18 g/mol. Its IUPAC name is 3-butyl-1,3-thiazolidin-2-imine;hydroiodide.

Molecular Properties

Compound Name3-butyl-1,3-thiazolidin-2-imine;hydroiodide
PubChem CID21475767
Molecular FormulaC7H15IN2S
Molecular Weight286.18 g/mol
Exact Mass286.00
IUPAC Name3-butyl-1,3-thiazolidin-2-imine;hydroiodide
SMILESI.[H]/N=C1\SCCN1CCCC
InChIInChI=1S/C7H14N2S.HI/c1-2-3-4-9-5-6-10-7(9)8;/h8H,2-6H2,1H3;1H/b8-7-;
InChIKeyIICDBRUUHBUZAS-CFYXSCKTSA-N
XLogP2.39
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.18
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1,3-thiazolidin-2-imine Hydroiodide
CID 2770507
3-Methyl-2-thiazolidinimine
CID 77318
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-Ethyl-1,3-thiazolidin-2-imine
CID 216947
3-(3-Fluoropropyl)-1,3-thiazolidin-2-imine
CID 57035099
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-butyl-1,3-thiazolidin-2-imine;hydroiodide?
The IUPAC name of 3-butyl-1,3-thiazolidin-2-imine;hydroiodide (CID 21475767) is 3-butyl-1,3-thiazolidin-2-imine;hydroiodide.
What is the SMILES notation for 3-butyl-1,3-thiazolidin-2-imine;hydroiodide?
The canonical SMILES for 3-butyl-1,3-thiazolidin-2-imine;hydroiodide is I.[H]/N=C1\SCCN1CCCC.
What is the InChIKey of 3-butyl-1,3-thiazolidin-2-imine;hydroiodide?
The InChIKey is IICDBRUUHBUZAS-CFYXSCKTSA-N. The full InChI is InChI=1S/C7H14N2S.HI/c1-2-3-4-9-5-6-10-7(9)8;/h8H,2-6H2,1H3;1H/b8-7-;.
What are the key properties of 3-butyl-1,3-thiazolidin-2-imine;hydroiodide?
3-butyl-1,3-thiazolidin-2-imine;hydroiodide has a molecular weight of 286.18 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1,3-thiazolidin-2-imine;hydroiodide is sourced from PubChem (CID 21475767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).