(5Z)-2-[2-(2,5-dimethoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one

C23H21N3O3S — CID 135427990

IUPAC(5Z)-2-[2-(2,5-dimethoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCOc1ccc(OC)c(CC/N=C2\NC(=O)/C(=C/c3ccc4ncccc4c3)S2)c1
InChIInChI=1S/C23H21N3O3S/c1-28-18-6-8-20(29-2)17(14-18)9-11-25-23-26-22(27)21(30-23)13-15-5-7-19-16(12-15)4-3-10-24-19/h3-8,10,12-14H,9,11H2,1-2H3,(H,25,26,27)/b21-13-
InChIKeyGRYLXVDXMVERIA-BKUYFWCQSA-N
MW419.51 g/mol
LogP4.05
Rot. Bonds6

About (5Z)-2-[2-(2,5-dimethoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one

(5Z)-2-[2-(2,5-dimethoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 135427990) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is (5Z)-2-[2-(2,5-dimethoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-[2-(2,5-dimethoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID135427990
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC Name(5Z)-2-[2-(2,5-dimethoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCOc1ccc(OC)c(CC/N=C2\NC(=O)/C(=C/c3ccc4ncccc4c3)S2)c1
InChIInChI=1S/C23H21N3O3S/c1-28-18-6-8-20(29-2)17(14-18)9-11-25-23-26-22(27)21(30-23)13-15-5-7-19-16(12-15)4-3-10-24-19/h3-8,10,12-14H,9,11H2,1-2H3,(H,25,26,27)/b21-13-
InChIKeyGRYLXVDXMVERIA-BKUYFWCQSA-N
XLogP4.05
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-2-[2-(2,5-dimethoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one with MolForge

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Related Compounds

(5Z)-2-[2-(2-ethoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 135428197
(5Z)-2-[2-(2-fluorophenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 135950077
4-[2-[[4-oxo-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-2-ylidene]amino]ethyl]benzenesulfonamide
CID 136504652
2-(2-hydroxypropylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 136510788
(5Z)-5-(quinolin-6-ylmethylidene)-2-(thian-4-ylmethylimino)-1,3-thiazolidin-4-one
CID 135468701
(5Z)-5-(quinolin-6-ylmethylidene)-2-(thiophen-2-ylmethylimino)-1,3-thiazolidin-4-one
CID 135400873
2-[(3-methylthiophen-2-yl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 136660236
(5Z)-2-(oxan-4-ylmethylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 135452411
(5E)-2-(2-methylphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 135745036
(5Z)-4-(3-methoxyphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-2-one
CID 135634327
2-(1H-pyrazol-5-ylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 136624407
(5Z)-2-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 135424330

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-[2-(2,5-dimethoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-[2-(2,5-dimethoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one (CID 135427990) is (5Z)-2-[2-(2,5-dimethoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-[2-(2,5-dimethoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-[2-(2,5-dimethoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one is COc1ccc(OC)c(CC/N=C2\NC(=O)/C(=C/c3ccc4ncccc4c3)S2)c1.
What is the InChIKey of (5Z)-2-[2-(2,5-dimethoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is GRYLXVDXMVERIA-BKUYFWCQSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-28-18-6-8-20(29-2)17(14-18)9-11-25-23-26-22(27)21(30-23)13-15-5-7-19-16(12-15)4-3-10-24-19/h3-8,10,12-14H,9,11H2,1-2H3,(H,25,26,27)/b21-13-.
What are the key properties of (5Z)-2-[2-(2,5-dimethoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
(5Z)-2-[2-(2,5-dimethoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 419.51 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-[2-(2,5-dimethoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135427990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).