N,5-dimethyl-3-propyl-1,3-thiazolidin-2-imine

C8H16N2S — CID 12718851

IUPACN,5-dimethyl-3-propyl-1,3-thiazolidin-2-imine
SMILESCCCN1CC(C)S/C1=N\C
InChIInChI=1S/C8H16N2S/c1-4-5-10-6-7(2)11-8(10)9-3/h7H,4-6H2,1-3H3/b9-8-
InChIKeyIRDDFGLFBZNYLO-HJWRWDBZSA-N
MW172.30 g/mol
LogP1.82
Rot. Bonds2

About N,5-dimethyl-3-propyl-1,3-thiazolidin-2-imine

N,5-dimethyl-3-propyl-1,3-thiazolidin-2-imine (PubChem CID 12718851) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is N,5-dimethyl-3-propyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN,5-dimethyl-3-propyl-1,3-thiazolidin-2-imine
PubChem CID12718851
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC NameN,5-dimethyl-3-propyl-1,3-thiazolidin-2-imine
SMILESCCCN1CC(C)S/C1=N\C
InChIInChI=1S/C8H16N2S/c1-4-5-10-6-7(2)11-8(10)9-3/h7H,4-6H2,1-3H3/b9-8-
InChIKeyIRDDFGLFBZNYLO-HJWRWDBZSA-N
XLogP1.82
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 51.82
H-Bond Donors ≤ 50
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 N,5-dimethyl-3-propyl-1,3-thiazolidin-2-imine?
The IUPAC name of N,5-dimethyl-3-propyl-1,3-thiazolidin-2-imine (CID 12718851) is N,5-dimethyl-3-propyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N,5-dimethyl-3-propyl-1,3-thiazolidin-2-imine?
The canonical SMILES for N,5-dimethyl-3-propyl-1,3-thiazolidin-2-imine is CCCN1CC(C)S/C1=N\C.
What is the InChIKey of N,5-dimethyl-3-propyl-1,3-thiazolidin-2-imine?
The InChIKey is IRDDFGLFBZNYLO-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H16N2S/c1-4-5-10-6-7(2)11-8(10)9-3/h7H,4-6H2,1-3H3/b9-8-.
What are the key properties of N,5-dimethyl-3-propyl-1,3-thiazolidin-2-imine?
N,5-dimethyl-3-propyl-1,3-thiazolidin-2-imine has a molecular weight of 172.30 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-3-propyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 12718851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).