N-[2-(3,4-dimethoxyphenyl)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine

C15H22N2O2S — CID 135934558

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine
SMILESCOc1ccc(CC/N=C2/NC(C)(C)CS2)cc1OC
InChIInChI=1S/C15H22N2O2S/c1-15(2)10-20-14(17-15)16-8-7-11-5-6-12(18-3)13(9-11)19-4/h5-6,9H,7-8,10H2,1-4H3,(H,16,17)
InChIKeyGWGKWJSBSRDSQO-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.72
Rot. Bonds5

About N-[2-(3,4-dimethoxyphenyl)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine

N-[2-(3,4-dimethoxyphenyl)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine (PubChem CID 135934558) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine
PubChem CID135934558
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine
SMILESCOc1ccc(CC/N=C2/NC(C)(C)CS2)cc1OC
InChIInChI=1S/C15H22N2O2S/c1-15(2)10-20-14(17-15)16-8-7-11-5-6-12(18-3)13(9-11)19-4/h5-6,9H,7-8,10H2,1-4H3,(H,16,17)
InChIKeyGWGKWJSBSRDSQO-UHFFFAOYSA-N
XLogP2.72
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136984810
N-[(3,4-dimethoxyphenyl)methyl]-4,4-dimethyl-1,3-thiazolidin-2-imine
CID 135938406
N-[2-(4-chlorophenyl)ethyl]-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136984898
N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-imine
CID 135401643
N-[2-(3,4-dimethoxyphenyl)ethyl]propan-2-imine
CID 10857049
4-[2-[2-(3,4-dimethoxyphenyl)ethyldiselanyl]ethyl]-1,2-dimethoxybenzene
CID 13133800
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
N-[4-[2-[2-(3,4-dimethoxyphenyl)ethylimino]-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]-N-methylmethanesulfonamide
CID 135954986
4,4-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazolidin-2-imine
CID 137011046
1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
N-[4-[2-[2-(3,4-dimethoxyphenyl)ethylimino]-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]benzamide
CID 135840296
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135954985

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine (CID 135934558) is N-[2-(3,4-dimethoxyphenyl)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine is COc1ccc(CC/N=C2/NC(C)(C)CS2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine?
The InChIKey is GWGKWJSBSRDSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-15(2)10-20-14(17-15)16-8-7-11-5-6-12(18-3)13(9-11)19-4/h5-6,9H,7-8,10H2,1-4H3,(H,16,17).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine?
N-[2-(3,4-dimethoxyphenyl)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine has a molecular weight of 294.42 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 135934558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).