N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazolidin-2-imine

C13H18N2OS — CID 135934581

IUPACN-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazolidin-2-imine
SMILESCOc1ccc(CC/N=C2/NC(C)CS2)cc1
InChIInChI=1S/C13H18N2OS/c1-10-9-17-13(15-10)14-8-7-11-3-5-12(16-2)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,14,15)
InChIKeyUBIVMYURXSAVIL-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.32
Rot. Bonds4

About N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazolidin-2-imine

N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazolidin-2-imine (PubChem CID 135934581) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazolidin-2-imine
PubChem CID135934581
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazolidin-2-imine
SMILESCOc1ccc(CC/N=C2/NC(C)CS2)cc1
InChIInChI=1S/C13H18N2OS/c1-10-9-17-13(15-10)14-8-7-11-3-5-12(16-2)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,14,15)
InChIKeyUBIVMYURXSAVIL-UHFFFAOYSA-N
XLogP2.32
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidine
CID 106779333
4-ethyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazinan-2-imine
CID 137001860
4-(4-methoxyphenyl)-N-[4-[2-[(4-methyl-3a,4-dihydro-3H-1,3-benzothiazol-2-ylidene)amino]ethyl]phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 143137398
N'-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919473
4-tert-butyl-N-(2-phenylethyl)-1,3-thiazinan-2-imine
CID 136848036
1-cyclopropyl-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 75418892
3-[(4-methoxyphenyl)methyl]-6-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 82047822
N-[4-(4-methoxyphenyl)butan-2-yl]thian-3-amine
CID 115726558
1-cyclopentyl-2-[2-(4-methoxyphenyl)ethyl]guanidine
CID 55063965
2-[2-(4-methoxyphenyl)ethyliminomethyl]-5,5-dimethylcyclohexane-1,3-dione
CID 7358649
2-[2-(4-methoxyphenyl)ethyl]-1-[(1R,2S)-2-methylcyclopropyl]guanidine
CID 98435856
N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]thiohydroxylamine
CID 123350321

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazolidin-2-imine?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazolidin-2-imine (CID 135934581) is N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazolidin-2-imine is COc1ccc(CC/N=C2/NC(C)CS2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazolidin-2-imine?
The InChIKey is UBIVMYURXSAVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-10-9-17-13(15-10)14-8-7-11-3-5-12(16-2)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,14,15).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazolidin-2-imine?
N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazolidin-2-imine has a molecular weight of 250.37 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 135934581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).