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

C13H26N2OS — CID 136954513

IUPACN-(2-ethoxy-2-methylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine
SMILESCCOC(C)(C)C/N=C1/NC(CC)(CC)CS1
InChIInChI=1S/C13H26N2OS/c1-6-13(7-2)10-17-11(15-13)14-9-12(4,5)16-8-3/h6-10H2,1-5H3,(H,14,15)
InChIKeyJXZPBTAJTFQOAN-UHFFFAOYSA-N
MW258.43 g/mol
LogP3.05
Rot. Bonds6

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

N-(2-ethoxy-2-methylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine (PubChem CID 136954513) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is N-(2-ethoxy-2-methylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-(2-ethoxy-2-methylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine
PubChem CID136954513
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC NameN-(2-ethoxy-2-methylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine
SMILESCCOC(C)(C)C/N=C1/NC(CC)(CC)CS1
InChIInChI=1S/C13H26N2OS/c1-6-13(7-2)10-17-11(15-13)14-9-12(4,5)16-8-3/h6-10H2,1-5H3,(H,14,15)
InChIKeyJXZPBTAJTFQOAN-UHFFFAOYSA-N
XLogP3.05
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-ethoxy-2-methylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine?
The IUPAC name of N-(2-ethoxy-2-methylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine (CID 136954513) is N-(2-ethoxy-2-methylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-(2-ethoxy-2-methylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-(2-ethoxy-2-methylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine is CCOC(C)(C)C/N=C1/NC(CC)(CC)CS1.
What is the InChIKey of N-(2-ethoxy-2-methylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine?
The InChIKey is JXZPBTAJTFQOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-6-13(7-2)10-17-11(15-13)14-9-12(4,5)16-8-3/h6-10H2,1-5H3,(H,14,15).
What are the key properties of N-(2-ethoxy-2-methylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine?
N-(2-ethoxy-2-methylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine has a molecular weight of 258.43 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-2-methylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136954513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).