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

C14H20N2O2S — CID 135938406

IUPACN-[(3,4-dimethoxyphenyl)methyl]-4,4-dimethyl-1,3-thiazolidin-2-imine
SMILESCOc1ccc(C/N=C2/NC(C)(C)CS2)cc1OC
InChIInChI=1S/C14H20N2O2S/c1-14(2)9-19-13(16-14)15-8-10-5-6-11(17-3)12(7-10)18-4/h5-7H,8-9H2,1-4H3,(H,15,16)
InChIKeyVRGHQCNKKLTKTJ-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.67
Rot. Bonds4

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

N-[(3,4-dimethoxyphenyl)methyl]-4,4-dimethyl-1,3-thiazolidin-2-imine (PubChem CID 135938406) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-4,4-dimethyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-4,4-dimethyl-1,3-thiazolidin-2-imine
PubChem CID135938406
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-4,4-dimethyl-1,3-thiazolidin-2-imine
SMILESCOc1ccc(C/N=C2/NC(C)(C)CS2)cc1OC
InChIInChI=1S/C14H20N2O2S/c1-14(2)9-19-13(16-14)15-8-10-5-6-11(17-3)12(7-10)18-4/h5-7H,8-9H2,1-4H3,(H,15,16)
InChIKeyVRGHQCNKKLTKTJ-UHFFFAOYSA-N
XLogP2.67
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.67
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-thiazolidin-2-imine
CID 135934558
N-[2-(3,4-dimethoxyphenyl)ethyl]-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136984810
1-[(3,4-dimethoxyphenyl)methyl]-2,2,5,5-tetramethylpiperazine
CID 64840494
N-[(2-chloro-6-methoxyphenyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136782384
2-[(4-ethoxy-3-methoxyphenyl)methyl]guanidine
CID 110893217
(5S)-5-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
CID 97054788
(5S)-5-[(3,4-dimethoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 2063611
4,4-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazolidin-2-imine
CID 137011046
2-[(3-ethoxy-4-methoxyphenyl)methyl]guanidine
CID 95911334
N'-[(3-ethoxy-4-methoxyphenyl)methyl]thiomorpholine-4-carboximidamide
CID 111809132
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-4,4,6-trimethyl-1,3-diazinane-2-thione
CID 3709373
4-[(3,4-dimethoxyphenyl)methyl]piperazine-2,6-dione
CID 63789962

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4,4-dimethyl-1,3-thiazolidin-2-imine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4,4-dimethyl-1,3-thiazolidin-2-imine (CID 135938406) is N-[(3,4-dimethoxyphenyl)methyl]-4,4-dimethyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-4,4-dimethyl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-4,4-dimethyl-1,3-thiazolidin-2-imine is COc1ccc(C/N=C2/NC(C)(C)CS2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-4,4-dimethyl-1,3-thiazolidin-2-imine?
The InChIKey is VRGHQCNKKLTKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-14(2)9-19-13(16-14)15-8-10-5-6-11(17-3)12(7-10)18-4/h5-7H,8-9H2,1-4H3,(H,15,16).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-4,4-dimethyl-1,3-thiazolidin-2-imine?
N-[(3,4-dimethoxyphenyl)methyl]-4,4-dimethyl-1,3-thiazolidin-2-imine has a molecular weight of 280.39 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-4,4-dimethyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 135938406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).