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

C12H16N2S — CID 135439903

IUPACN-benzyl-4,4-dimethyl-1,3-thiazolidin-2-imine
SMILESCC1(C)CS/C(=N\Cc2ccccc2)N1
InChIInChI=1S/C12H16N2S/c1-12(2)9-15-11(14-12)13-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,13,14)
InChIKeyJXTBEMXNYIIFJS-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.66
Rot. Bonds2

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

N-benzyl-4,4-dimethyl-1,3-thiazolidin-2-imine (PubChem CID 135439903) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-benzyl-4,4-dimethyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-benzyl-4,4-dimethyl-1,3-thiazolidin-2-imine
PubChem CID135439903
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC NameN-benzyl-4,4-dimethyl-1,3-thiazolidin-2-imine
SMILESCC1(C)CS/C(=N\Cc2ccccc2)N1
InChIInChI=1S/C12H16N2S/c1-12(2)9-15-11(14-12)13-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,13,14)
InChIKeyJXTBEMXNYIIFJS-UHFFFAOYSA-N
XLogP2.66
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.66
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-benzyl-4,4-dimethyl-1,3-thiazolidin-2-imine?
The IUPAC name of N-benzyl-4,4-dimethyl-1,3-thiazolidin-2-imine (CID 135439903) is N-benzyl-4,4-dimethyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-benzyl-4,4-dimethyl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-benzyl-4,4-dimethyl-1,3-thiazolidin-2-imine is CC1(C)CS/C(=N\Cc2ccccc2)N1.
What is the InChIKey of N-benzyl-4,4-dimethyl-1,3-thiazolidin-2-imine?
The InChIKey is JXTBEMXNYIIFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-12(2)9-15-11(14-12)13-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,13,14).
What are the key properties of N-benzyl-4,4-dimethyl-1,3-thiazolidin-2-imine?
N-benzyl-4,4-dimethyl-1,3-thiazolidin-2-imine has a molecular weight of 220.34 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4,4-dimethyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 135439903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).