N-[2-(2-methoxyethoxy)ethyl]-4-phenyl-1,3-thiazolidin-2-imine

C14H20N2O2S — CID 135965234

IUPACN-[2-(2-methoxyethoxy)ethyl]-4-phenyl-1,3-thiazolidin-2-imine
SMILESCOCCOCC/N=C1/NC(c2ccccc2)CS1
InChIInChI=1S/C14H20N2O2S/c1-17-9-10-18-8-7-15-14-16-13(11-19-14)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,15,16)
InChIKeyIWYQQESRILQSGT-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.08
Rot. Bonds7

About N-[2-(2-methoxyethoxy)ethyl]-4-phenyl-1,3-thiazolidin-2-imine

N-[2-(2-methoxyethoxy)ethyl]-4-phenyl-1,3-thiazolidin-2-imine (PubChem CID 135965234) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)ethyl]-4-phenyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)ethyl]-4-phenyl-1,3-thiazolidin-2-imine
PubChem CID135965234
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-[2-(2-methoxyethoxy)ethyl]-4-phenyl-1,3-thiazolidin-2-imine
SMILESCOCCOCC/N=C1/NC(c2ccccc2)CS1
InChIInChI=1S/C14H20N2O2S/c1-17-9-10-18-8-7-15-14-16-13(11-19-14)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,15,16)
InChIKeyIWYQQESRILQSGT-UHFFFAOYSA-N
XLogP2.08
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.08
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

N-(4-methoxybutyl)-4-phenyl-1,3-thiazolidin-2-imine
CID 135965221
4-benzyl-N-[3-(2-methoxyethoxy)propyl]-1,3-thiazolidin-2-imine
CID 136765013
N-(7-methyloctyl)-4-phenyl-1,3-thiazolidin-2-imine
CID 136701825
N-(3-cyclopentylpropyl)-4-phenyl-1,3-thiazolidin-2-imine
CID 136883428
N-(2-cyclopropylpropyl)-4-phenyl-1,3-thiazolidin-2-imine
CID 137002709
N-[3-[(4-phenyl-1,3-thiazolidin-2-ylidene)amino]propyl]methanesulfonamide
CID 136784814
N-[(2-methylcyclopentyl)methyl]-4-phenyl-1,3-thiazolidin-2-imine
CID 136867439
4-phenyl-N-(2-piperidin-1-ylpropyl)-1,3-thiazolidin-2-imine
CID 135965275
2-[(4-phenyl-1,3-thiazolidin-2-ylidene)amino]-N-propylacetamide
CID 135965211
N,2,2-trimethyl-3-[(4-phenyl-1,3-thiazolidin-2-ylidene)amino]propanamide
CID 136817717
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,3-thiazolidin-2-imine
CID 135965124
N-[3-(2-methoxyethoxy)propyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine
CID 136747399

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-4-phenyl-1,3-thiazolidin-2-imine?
The IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-4-phenyl-1,3-thiazolidin-2-imine (CID 135965234) is N-[2-(2-methoxyethoxy)ethyl]-4-phenyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-[2-(2-methoxyethoxy)ethyl]-4-phenyl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-[2-(2-methoxyethoxy)ethyl]-4-phenyl-1,3-thiazolidin-2-imine is COCCOCC/N=C1/NC(c2ccccc2)CS1.
What is the InChIKey of N-[2-(2-methoxyethoxy)ethyl]-4-phenyl-1,3-thiazolidin-2-imine?
The InChIKey is IWYQQESRILQSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-17-9-10-18-8-7-15-14-16-13(11-19-14)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,15,16).
What are the key properties of N-[2-(2-methoxyethoxy)ethyl]-4-phenyl-1,3-thiazolidin-2-imine?
N-[2-(2-methoxyethoxy)ethyl]-4-phenyl-1,3-thiazolidin-2-imine has a molecular weight of 280.39 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)ethyl]-4-phenyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 135965234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).