3-propyl-1,3-thiazolidin-2-imine;hydrobromide

C6H13BrN2S — CID 90654238

IUPAC3-propyl-1,3-thiazolidin-2-imine;hydrobromide
SMILESBr.[H]/N=C1\SCCN1CCC
InChIInChI=1S/C6H12N2S.BrH/c1-2-3-8-4-5-9-6(8)7;/h7H,2-5H2,1H3;1H/b7-6-;
InChIKeyAJFIIRVOIYFEAS-NAFXZHHSSA-N
MW225.15 g/mol
LogP1.96
Rot. Bonds2

About 3-propyl-1,3-thiazolidin-2-imine;hydrobromide

3-propyl-1,3-thiazolidin-2-imine;hydrobromide (PubChem CID 90654238) has the molecular formula C6H13BrN2S and a molecular weight of 225.15 g/mol. Its IUPAC name is 3-propyl-1,3-thiazolidin-2-imine;hydrobromide.

Molecular Properties

Compound Name3-propyl-1,3-thiazolidin-2-imine;hydrobromide
PubChem CID90654238
Molecular FormulaC6H13BrN2S
Molecular Weight225.15 g/mol
Exact Mass224.00
IUPAC Name3-propyl-1,3-thiazolidin-2-imine;hydrobromide
SMILESBr.[H]/N=C1\SCCN1CCC
InChIInChI=1S/C6H12N2S.BrH/c1-2-3-8-4-5-9-6(8)7;/h7H,2-5H2,1H3;1H/b7-6-;
InChIKeyAJFIIRVOIYFEAS-NAFXZHHSSA-N
XLogP1.96
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.15
LogP ≤ 51.96
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-propyl-1,3-thiazolidin-2-imine;hydrobromide?
The IUPAC name of 3-propyl-1,3-thiazolidin-2-imine;hydrobromide (CID 90654238) is 3-propyl-1,3-thiazolidin-2-imine;hydrobromide.
What is the SMILES notation for 3-propyl-1,3-thiazolidin-2-imine;hydrobromide?
The canonical SMILES for 3-propyl-1,3-thiazolidin-2-imine;hydrobromide is Br.[H]/N=C1\SCCN1CCC.
What is the InChIKey of 3-propyl-1,3-thiazolidin-2-imine;hydrobromide?
The InChIKey is AJFIIRVOIYFEAS-NAFXZHHSSA-N. The full InChI is InChI=1S/C6H12N2S.BrH/c1-2-3-8-4-5-9-6(8)7;/h7H,2-5H2,1H3;1H/b7-6-;.
What are the key properties of 3-propyl-1,3-thiazolidin-2-imine;hydrobromide?
3-propyl-1,3-thiazolidin-2-imine;hydrobromide has a molecular weight of 225.15 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1,3-thiazolidin-2-imine;hydrobromide is sourced from PubChem (CID 90654238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).