3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one

C21H24N2O3S — CID 2732632

IUPAC3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
SMILESCOc1ccc(CCN2C(=O)CS/C2=N\c2ccc(C)cc2C)cc1OC
InChIInChI=1S/C21H24N2O3S/c1-14-5-7-17(15(2)11-14)22-21-23(20(24)13-27-21)10-9-16-6-8-18(25-3)19(12-16)26-4/h5-8,11-12H,9-10,13H2,1-4H3/b22-21-
InChIKeyWNSSOPHKWZVMBX-DQRAZIAOSA-N
MW384.50 g/mol
LogP4.13
Rot. Bonds6

About 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one

3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 2732632) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
PubChem CID2732632
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
SMILESCOc1ccc(CCN2C(=O)CS/C2=N\c2ccc(C)cc2C)cc1OC
InChIInChI=1S/C21H24N2O3S/c1-14-5-7-17(15(2)11-14)22-21-23(20(24)13-27-21)10-9-16-6-8-18(25-3)19(12-16)26-4/h5-8,11-12H,9-10,13H2,1-4H3/b22-21-
InChIKeyWNSSOPHKWZVMBX-DQRAZIAOSA-N
XLogP4.13
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.13
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

7-(3,4-dimethoxyphenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
CID 661176
3-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2-ethylsulfanyl-3H-quinazolin-4-one
CID 1157595
3-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2-[(Z)-4-methoxy-phenylimino]-4-oxo-[1,3]thiazinane-6-carboxylic acid amide
CID 3141791
(2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide
CID 3141795
(2Z)-3-benzyl-2-{[2-(3,4-dimethoxyphenyl)ethyl]imino}-1,3-thiazolidin-4-one
CID 6620582
(Z,Z)-5-(3,4-Dimethoxy-benzylidene)-2-isopropylimino-3-phenyl-thiazolidin-4-one
CID 46236929
(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 70694820
(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 70696866
3-(3,4-Dimethoxyphenethyl)-2-[(4-methoxyphenyl)imino]-1,3-thiazolan-4-one
CID 596384
(2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-(phenylimino)-1,3-thiazinane-6-carboxamide
CID 646141
3-(3,4-Dimethoxyphenethyl)-2-[(4-isopropylphenyl)imino]-1,3-thiazolan-4-one
CID 2731162
(5Z)-5-[(3-methoxyphenyl)methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one
CID 11667506

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one (CID 2732632) is 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one is COc1ccc(CCN2C(=O)CS/C2=N\c2ccc(C)cc2C)cc1OC.
What is the InChIKey of 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is WNSSOPHKWZVMBX-DQRAZIAOSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-14-5-7-17(15(2)11-14)22-21-23(20(24)13-27-21)10-9-16-6-8-18(25-3)19(12-16)26-4/h5-8,11-12H,9-10,13H2,1-4H3/b22-21-.
What are the key properties of 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one?
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 384.50 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 2732632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).