N-ethyl-4,4-dimethyl-1,3-thiazolidin-2-imine

C7H14N2S — CID 135473783

IUPACN-ethyl-4,4-dimethyl-1,3-thiazolidin-2-imine
SMILESCC/N=C1/NC(C)(C)CS1
InChIInChI=1S/C7H14N2S/c1-4-8-6-9-7(2,3)5-10-6/h4-5H2,1-3H3,(H,8,9)
InChIKeyNTYDGEGYFZPLRA-UHFFFAOYSA-N
MW158.27 g/mol
LogP1.48
Rot. Bonds1

About N-ethyl-4,4-dimethyl-1,3-thiazolidin-2-imine

N-ethyl-4,4-dimethyl-1,3-thiazolidin-2-imine (PubChem CID 135473783) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is N-ethyl-4,4-dimethyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-ethyl-4,4-dimethyl-1,3-thiazolidin-2-imine
PubChem CID135473783
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC NameN-ethyl-4,4-dimethyl-1,3-thiazolidin-2-imine
SMILESCC/N=C1/NC(C)(C)CS1
InChIInChI=1S/C7H14N2S/c1-4-8-6-9-7(2,3)5-10-6/h4-5H2,1-3H3,(H,8,9)
InChIKeyNTYDGEGYFZPLRA-UHFFFAOYSA-N
XLogP1.48
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.48
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 N-ethyl-4,4-dimethyl-1,3-thiazolidin-2-imine?
The IUPAC name of N-ethyl-4,4-dimethyl-1,3-thiazolidin-2-imine (CID 135473783) is N-ethyl-4,4-dimethyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-ethyl-4,4-dimethyl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-ethyl-4,4-dimethyl-1,3-thiazolidin-2-imine is CC/N=C1/NC(C)(C)CS1.
What is the InChIKey of N-ethyl-4,4-dimethyl-1,3-thiazolidin-2-imine?
The InChIKey is NTYDGEGYFZPLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S/c1-4-8-6-9-7(2,3)5-10-6/h4-5H2,1-3H3,(H,8,9).
What are the key properties of N-ethyl-4,4-dimethyl-1,3-thiazolidin-2-imine?
N-ethyl-4,4-dimethyl-1,3-thiazolidin-2-imine has a molecular weight of 158.27 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4-dimethyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 135473783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).