2-[2-(3,4-dimethoxyphenyl)ethylimino]-3-methyl-1,3-thiazolidin-4-one

C14H18N2O3S — CID 1356516

IUPAC2-[2-(3,4-dimethoxyphenyl)ethylimino]-3-methyl-1,3-thiazolidin-4-one
SMILESCOc1ccc(CC/N=C2\SCC(=O)N2C)cc1OC
InChIInChI=1S/C14H18N2O3S/c1-16-13(17)9-20-14(16)15-7-6-10-4-5-11(18-2)12(8-10)19-3/h4-5,8H,6-7,9H2,1-3H3/b15-14-
InChIKeyUELOMQUHLVFCPE-PFONDFGASA-N
MW294.38 g/mol
LogP1.81
Rot. Bonds5

About 2-[2-(3,4-dimethoxyphenyl)ethylimino]-3-methyl-1,3-thiazolidin-4-one

2-[2-(3,4-dimethoxyphenyl)ethylimino]-3-methyl-1,3-thiazolidin-4-one (PubChem CID 1356516) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)ethylimino]-3-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)ethylimino]-3-methyl-1,3-thiazolidin-4-one
PubChem CID1356516
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name2-[2-(3,4-dimethoxyphenyl)ethylimino]-3-methyl-1,3-thiazolidin-4-one
SMILESCOc1ccc(CC/N=C2\SCC(=O)N2C)cc1OC
InChIInChI=1S/C14H18N2O3S/c1-16-13(17)9-20-14(16)15-7-6-10-4-5-11(18-2)12(8-10)19-3/h4-5,8H,6-7,9H2,1-3H3/b15-14-
InChIKeyUELOMQUHLVFCPE-PFONDFGASA-N
XLogP1.81
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Rhodanine, 3-(3,4-dimethoxyphenethyl)-
CID 289100
Mixidine
CID 34003
N1-(1,3-thiazolan-2-yliden)-2-(3,4-dimethoxyphenyl)ethan-1-amine
CID 2731061
2-(3,4-dimethoxyphenyl)-1-(2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)ethanone
CID 4275454
(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 2424915
3-Benzyl-2-(benzylimino)-5-(3,4-dimethoxybenzylidene)-1,3-thiazolidin-4-one
CID 2263096
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 4879087
(2Z)-3-benzyl-2-{[2-(3,4-dimethoxyphenyl)ethyl]imino}-1,3-thiazolidin-4-one
CID 6620582
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide
CID 135454519
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-oxo-2-propylimino-1,3-thiazolidin-5-yl)acetamide
CID 135499006
(5Z)-2-benzylimino-5-[(3,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137283359
(5Z)-5-(3,4-dimethoxybenzylidene)-2-piperidin-1-yl-1,3-thiazol-4(5H)-one
CID 691844

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethylimino]-3-methyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethylimino]-3-methyl-1,3-thiazolidin-4-one (CID 1356516) is 2-[2-(3,4-dimethoxyphenyl)ethylimino]-3-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)ethylimino]-3-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)ethylimino]-3-methyl-1,3-thiazolidin-4-one is COc1ccc(CC/N=C2\SCC(=O)N2C)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)ethylimino]-3-methyl-1,3-thiazolidin-4-one?
The InChIKey is UELOMQUHLVFCPE-PFONDFGASA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-16-13(17)9-20-14(16)15-7-6-10-4-5-11(18-2)12(8-10)19-3/h4-5,8H,6-7,9H2,1-3H3/b15-14-.
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)ethylimino]-3-methyl-1,3-thiazolidin-4-one?
2-[2-(3,4-dimethoxyphenyl)ethylimino]-3-methyl-1,3-thiazolidin-4-one has a molecular weight of 294.38 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)ethylimino]-3-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 1356516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).