N-(3-cyclopentylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine

C15H28N2S — CID 137000525

IUPACN-(3-cyclopentylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine
SMILESCCC1(CC)CS/C(=N\CCCC2CCCC2)N1
InChIInChI=1S/C15H28N2S/c1-3-15(4-2)12-18-14(17-15)16-11-7-10-13-8-5-6-9-13/h13H,3-12H2,1-2H3,(H,16,17)
InChIKeyGFVZKZKHQRLDQZ-UHFFFAOYSA-N
MW268.47 g/mol
LogP4.21
Rot. Bonds6

About N-(3-cyclopentylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine

N-(3-cyclopentylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine (PubChem CID 137000525) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine
PubChem CID137000525
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC NameN-(3-cyclopentylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine
SMILESCCC1(CC)CS/C(=N\CCCC2CCCC2)N1
InChIInChI=1S/C15H28N2S/c1-3-15(4-2)12-18-14(17-15)16-11-7-10-13-8-5-6-9-13/h13H,3-12H2,1-2H3,(H,16,17)
InChIKeyGFVZKZKHQRLDQZ-UHFFFAOYSA-N
XLogP4.21
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine?
The IUPAC name of N-(3-cyclopentylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine (CID 137000525) is N-(3-cyclopentylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-(3-cyclopentylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-(3-cyclopentylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine is CCC1(CC)CS/C(=N\CCCC2CCCC2)N1.
What is the InChIKey of N-(3-cyclopentylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine?
The InChIKey is GFVZKZKHQRLDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-3-15(4-2)12-18-14(17-15)16-11-7-10-13-8-5-6-9-13/h13H,3-12H2,1-2H3,(H,16,17).
What are the key properties of N-(3-cyclopentylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine?
N-(3-cyclopentylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine has a molecular weight of 268.47 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 137000525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).