5-(1-methyl-2-oxoindol-3-ylidene)-2-pyridin-3-ylimino-1,3-thiazolidin-4-one

C17H12N4O2S — CID 135486611

IUPAC5-(1-methyl-2-oxoindol-3-ylidene)-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
SMILESCN1C(=O)C(=C2S/C(=N\c3cccnc3)NC2=O)c2ccccc21
InChIInChI=1S/C17H12N4O2S/c1-21-12-7-3-2-6-11(12)13(16(21)23)14-15(22)20-17(24-14)19-10-5-4-8-18-9-10/h2-9H,1H3,(H,19,20,22)
InChIKeyFLAIFSMXVQNLRF-UHFFFAOYSA-N
MW336.38 g/mol
LogP2.32
Rot. Bonds1

About 5-(1-methyl-2-oxoindol-3-ylidene)-2-pyridin-3-ylimino-1,3-thiazolidin-4-one

5-(1-methyl-2-oxoindol-3-ylidene)-2-pyridin-3-ylimino-1,3-thiazolidin-4-one (PubChem CID 135486611) has the molecular formula C17H12N4O2S and a molecular weight of 336.38 g/mol. Its IUPAC name is 5-(1-methyl-2-oxoindol-3-ylidene)-2-pyridin-3-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-(1-methyl-2-oxoindol-3-ylidene)-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
PubChem CID135486611
Molecular FormulaC17H12N4O2S
Molecular Weight336.38 g/mol
Exact Mass336.07
IUPAC Name5-(1-methyl-2-oxoindol-3-ylidene)-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
SMILESCN1C(=O)C(=C2S/C(=N\c3cccnc3)NC2=O)c2ccccc21
InChIInChI=1S/C17H12N4O2S/c1-21-12-7-3-2-6-11(12)13(16(21)23)14-15(22)20-17(24-14)19-10-5-4-8-18-9-10/h2-9H,1H3,(H,19,20,22)
InChIKeyFLAIFSMXVQNLRF-UHFFFAOYSA-N
XLogP2.32
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-2-(4-ethylphenyl)imino-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one
CID 135404540
(2Z,5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)imino]-1,3-thiazolidin-4-one
CID 135585542
(2E,5E)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one
CID 135487381
(5Z)-2-(4-chlorophenyl)imino-5-(1,5-dimethyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one
CID 135475206
5-(1-acetyl-2-oxoindol-3-ylidene)-2-(3,5-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 135459648
(5Z)-2-(2-chlorophenyl)imino-5-(1,5-dimethyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one
CID 135904983
(5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-4-sulfanylidene-1,3-thiazolidin-2-one
CID 71606294
(5Z)-2-(4-chlorophenyl)imino-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidin-4-one
CID 135448763
(5Z)-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135648727
(5Z)-5-[(2-chlorophenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 135426206
2-[(3Z)-3-[2-(2-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]acetic acid
CID 135404554
5-(1-acetyl-2-oxoindol-3-ylidene)-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 135486639

Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-2-oxoindol-3-ylidene)-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of 5-(1-methyl-2-oxoindol-3-ylidene)-2-pyridin-3-ylimino-1,3-thiazolidin-4-one (CID 135486611) is 5-(1-methyl-2-oxoindol-3-ylidene)-2-pyridin-3-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-(1-methyl-2-oxoindol-3-ylidene)-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-(1-methyl-2-oxoindol-3-ylidene)-2-pyridin-3-ylimino-1,3-thiazolidin-4-one is CN1C(=O)C(=C2S/C(=N\c3cccnc3)NC2=O)c2ccccc21.
What is the InChIKey of 5-(1-methyl-2-oxoindol-3-ylidene)-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
The InChIKey is FLAIFSMXVQNLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2S/c1-21-12-7-3-2-6-11(12)13(16(21)23)14-15(22)20-17(24-14)19-10-5-4-8-18-9-10/h2-9H,1H3,(H,19,20,22).
What are the key properties of 5-(1-methyl-2-oxoindol-3-ylidene)-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
5-(1-methyl-2-oxoindol-3-ylidene)-2-pyridin-3-ylimino-1,3-thiazolidin-4-one has a molecular weight of 336.38 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-2-oxoindol-3-ylidene)-2-pyridin-3-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135486611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).