4-benzyl-N-[3-(2-methoxyethoxy)propyl]-1,3-thiazolidin-2-imine

C16H24N2O2S — CID 136765013

IUPAC4-benzyl-N-[3-(2-methoxyethoxy)propyl]-1,3-thiazolidin-2-imine
SMILESCOCCOCCC/N=C1/NC(Cc2ccccc2)CS1
InChIInChI=1S/C16H24N2O2S/c1-19-10-11-20-9-5-8-17-16-18-15(13-21-16)12-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3,(H,17,18)
InChIKeyAQGLPQYIAXSWIE-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.34
Rot. Bonds9

About 4-benzyl-N-[3-(2-methoxyethoxy)propyl]-1,3-thiazolidin-2-imine

4-benzyl-N-[3-(2-methoxyethoxy)propyl]-1,3-thiazolidin-2-imine (PubChem CID 136765013) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 4-benzyl-N-[3-(2-methoxyethoxy)propyl]-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4-benzyl-N-[3-(2-methoxyethoxy)propyl]-1,3-thiazolidin-2-imine
PubChem CID136765013
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name4-benzyl-N-[3-(2-methoxyethoxy)propyl]-1,3-thiazolidin-2-imine
SMILESCOCCOCCC/N=C1/NC(Cc2ccccc2)CS1
InChIInChI=1S/C16H24N2O2S/c1-19-10-11-20-9-5-8-17-16-18-15(13-21-16)12-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3,(H,17,18)
InChIKeyAQGLPQYIAXSWIE-UHFFFAOYSA-N
XLogP2.34
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-benzyl-N-octyl-1,3-thiazolidin-2-imine
CID 136920389
2-[2-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]ethoxy]acetamide
CID 136805731
N-[2-(2-methoxyethoxy)ethyl]-4-phenyl-1,3-thiazolidin-2-imine
CID 135965234
N-[3-(2-methoxyethoxy)propyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine
CID 136747399
3-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]-N-ethylpropanamide
CID 136713434
N-[2-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]ethyl]-N-ethylcyclopropanamine
CID 136666955
N-(4-methoxybutyl)-4-phenyl-1,3-thiazolidin-2-imine
CID 135965221
4-ethyl-N-(4-methoxybutyl)-1,3-thiazolidin-2-imine
CID 135973739
4-benzyl-N-[2-(triazol-1-yl)ethyl]-1,3-thiazolidin-2-imine
CID 136824816
4-benzyl-N-(furan-3-ylmethyl)-1,3-thiazolidin-2-imine
CID 136960723
4-benzyl-N-[(4-methyl-3-pyridinyl)methyl]-1,3-thiazolidin-2-imine
CID 136981181
4-benzyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,3-thiazolidin-2-imine
CID 136908710

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[3-(2-methoxyethoxy)propyl]-1,3-thiazolidin-2-imine?
The IUPAC name of 4-benzyl-N-[3-(2-methoxyethoxy)propyl]-1,3-thiazolidin-2-imine (CID 136765013) is 4-benzyl-N-[3-(2-methoxyethoxy)propyl]-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4-benzyl-N-[3-(2-methoxyethoxy)propyl]-1,3-thiazolidin-2-imine?
The canonical SMILES for 4-benzyl-N-[3-(2-methoxyethoxy)propyl]-1,3-thiazolidin-2-imine is COCCOCCC/N=C1/NC(Cc2ccccc2)CS1.
What is the InChIKey of 4-benzyl-N-[3-(2-methoxyethoxy)propyl]-1,3-thiazolidin-2-imine?
The InChIKey is AQGLPQYIAXSWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-19-10-11-20-9-5-8-17-16-18-15(13-21-16)12-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3,(H,17,18).
What are the key properties of 4-benzyl-N-[3-(2-methoxyethoxy)propyl]-1,3-thiazolidin-2-imine?
4-benzyl-N-[3-(2-methoxyethoxy)propyl]-1,3-thiazolidin-2-imine has a molecular weight of 308.45 g/mol, XLogP of 2.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[3-(2-methoxyethoxy)propyl]-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136765013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).