(5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one

C21H16N4O3S — CID 18842404

IUPAC(5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)/C(=C2/C(=O)N(C(C)=O)c3ccccc32)S/C1=N\c1cccnc1
InChIInChI=1S/C21H16N4O3S/c1-3-11-24-20(28)18(29-21(24)23-14-7-6-10-22-12-14)17-15-8-4-5-9-16(15)25(13(2)26)19(17)27/h3-10,12H,1,11H2,2H3/b18-17-,23-21-
InChIKeyTVDULIJEEMLTIA-JYOMAFKJSA-N
MW404.45 g/mol
LogP3.13
Rot. Bonds3

About (5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one

(5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one (PubChem CID 18842404) has the molecular formula C21H16N4O3S and a molecular weight of 404.45 g/mol. Its IUPAC name is (5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
PubChem CID18842404
Molecular FormulaC21H16N4O3S
Molecular Weight404.45 g/mol
Exact Mass404.09
IUPAC Name(5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)/C(=C2/C(=O)N(C(C)=O)c3ccccc32)S/C1=N\c1cccnc1
InChIInChI=1S/C21H16N4O3S/c1-3-11-24-20(28)18(29-21(24)23-14-7-6-10-22-12-14)17-15-8-4-5-9-16(15)25(13(2)26)19(17)27/h3-10,12H,1,11H2,2H3/b18-17-,23-21-
InChIKeyTVDULIJEEMLTIA-JYOMAFKJSA-N
XLogP3.13
TPSA82.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E,5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-ethyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 18842816
(5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-(1-methyl-2-oxoindol-3-ylidene)-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 18843433
(5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 7559372
(2E,5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841787
(5Z)-5-[(2-nitrophenyl)methylidene]-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 18842409
(2E,5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-methyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 18842713
3-[(5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
CID 2046245
3-[(5E)-5-(1-acetyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
CID 2046242
5-(1-methyl-2-oxoindol-3-ylidene)-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 135486611
6-[(5E)-5-(1-acetyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
CID 2046238
6-[(5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
CID 2046241
2-hydroxy-4-[[(5Z)-4-oxo-3-prop-2-enyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 27429972

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one (CID 18842404) is (5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one is C=CCN1C(=O)/C(=C2/C(=O)N(C(C)=O)c3ccccc32)S/C1=N\c1cccnc1.
What is the InChIKey of (5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
The InChIKey is TVDULIJEEMLTIA-JYOMAFKJSA-N. The full InChI is InChI=1S/C21H16N4O3S/c1-3-11-24-20(28)18(29-21(24)23-14-7-6-10-22-12-14)17-15-8-4-5-9-16(15)25(13(2)26)19(17)27/h3-10,12H,1,11H2,2H3/b18-17-,23-21-.
What are the key properties of (5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
(5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one has a molecular weight of 404.45 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 18842404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).