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

C12H16N2S — CID 562154

IUPACN-benzyl-3,5-dimethyl-1,3-thiazolidin-2-imine
SMILESCC1CN(C)/C(=N\Cc2ccccc2)S1
InChIInChI=1S/C12H16N2S/c1-10-9-14(2)12(15-10)13-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3/b13-12+
InChIKeyNUSXZJGKHMLMGW-OUKQBFOZSA-N
MW220.34 g/mol
LogP2.61
Rot. Bonds2

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

N-benzyl-3,5-dimethyl-1,3-thiazolidin-2-imine (PubChem CID 562154) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-benzyl-3,5-dimethyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-benzyl-3,5-dimethyl-1,3-thiazolidin-2-imine
PubChem CID562154
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC NameN-benzyl-3,5-dimethyl-1,3-thiazolidin-2-imine
SMILESCC1CN(C)/C(=N\Cc2ccccc2)S1
InChIInChI=1S/C12H16N2S/c1-10-9-14(2)12(15-10)13-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3/b13-12+
InChIKeyNUSXZJGKHMLMGW-OUKQBFOZSA-N
XLogP2.61
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-benzyl-3,5-dimethyl-1,3-thiazolidin-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Levamisole
CID 26879
Levamisole Hydrochloride
CID 27944
(+-)-Tetramisole
CID 3913
Tetramisole Hydrochloride
CID 68628
4,5-Dihydro-N-((4-methylphenyl)methyl)-2-thiazolamine
CID 2737945
Dexamisole
CID 66374
5-methyl-N-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 2966629
(4,5-Dihydro-thiazol-2-yl)-phenethyl-amine
CID 2404807
4,4-dimethyl-N-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 135465266
Imidazo(2,1-b)thiazole, 2,3,5,6-tetrahydro-6-phenyl-, hydrochloride (1:1), (6R)-
CID 197152
N-benzyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 383596
N-(4-fluorobenzyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2997276

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,5-dimethyl-1,3-thiazolidin-2-imine?
The IUPAC name of N-benzyl-3,5-dimethyl-1,3-thiazolidin-2-imine (CID 562154) is N-benzyl-3,5-dimethyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-benzyl-3,5-dimethyl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-benzyl-3,5-dimethyl-1,3-thiazolidin-2-imine is CC1CN(C)/C(=N\Cc2ccccc2)S1.
What is the InChIKey of N-benzyl-3,5-dimethyl-1,3-thiazolidin-2-imine?
The InChIKey is NUSXZJGKHMLMGW-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H16N2S/c1-10-9-14(2)12(15-10)13-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3/b13-12+.
What are the key properties of N-benzyl-3,5-dimethyl-1,3-thiazolidin-2-imine?
N-benzyl-3,5-dimethyl-1,3-thiazolidin-2-imine has a molecular weight of 220.34 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,5-dimethyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 562154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).