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

C6H12N2S — CID 45087999

IUPAC3-propyl-1,3-thiazolidin-2-imine
SMILES[H]/N=C1\SCCN1CCC
InChIInChI=1S/C6H12N2S/c1-2-3-8-4-5-9-6(8)7/h7H,2-5H2,1H3/b7-6-
InChIKeySVSBMCBDEBWCQG-SREVYHEPSA-N
MW144.24 g/mol
LogP1.38
Rot. Bonds2

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

3-propyl-1,3-thiazolidin-2-imine (PubChem CID 45087999) has the molecular formula C6H12N2S and a molecular weight of 144.24 g/mol. Its IUPAC name is 3-propyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name3-propyl-1,3-thiazolidin-2-imine
PubChem CID45087999
Molecular FormulaC6H12N2S
Molecular Weight144.24 g/mol
Exact Mass144.07
IUPAC Name3-propyl-1,3-thiazolidin-2-imine
SMILES[H]/N=C1\SCCN1CCC
InChIInChI=1S/C6H12N2S/c1-2-3-8-4-5-9-6(8)7/h7H,2-5H2,1H3/b7-6-
InChIKeySVSBMCBDEBWCQG-SREVYHEPSA-N
XLogP1.38
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.38
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?
The IUPAC name of 3-propyl-1,3-thiazolidin-2-imine (CID 45087999) is 3-propyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for 3-propyl-1,3-thiazolidin-2-imine?
The canonical SMILES for 3-propyl-1,3-thiazolidin-2-imine is [H]/N=C1\SCCN1CCC.
What is the InChIKey of 3-propyl-1,3-thiazolidin-2-imine?
The InChIKey is SVSBMCBDEBWCQG-SREVYHEPSA-N. The full InChI is InChI=1S/C6H12N2S/c1-2-3-8-4-5-9-6(8)7/h7H,2-5H2,1H3/b7-6-.
What are the key properties of 3-propyl-1,3-thiazolidin-2-imine?
3-propyl-1,3-thiazolidin-2-imine has a molecular weight of 144.24 g/mol, XLogP of 1.38, 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 is sourced from PubChem (CID 45087999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).