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

C19H14N4O3S — CID 18841787

IUPAC(2E,5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
SMILESCC(=O)N1C(=O)/C(=C2\S/C(=N/c3ccccn3)N(C)C2=O)c2ccccc21
InChIInChI=1S/C19H14N4O3S/c1-11(24)23-13-8-4-3-7-12(13)15(17(23)25)16-18(26)22(2)19(27-16)21-14-9-5-6-10-20-14/h3-10H,1-2H3/b16-15-,21-19+
InChIKeyCQHRULFYVMJHNY-NQZNYCRESA-N
MW378.41 g/mol
LogP2.58
Rot. Bonds1

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

(2E,5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one (PubChem CID 18841787) has the molecular formula C19H14N4O3S and a molecular weight of 378.41 g/mol. Its IUPAC name is (2E,5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
PubChem CID18841787
Molecular FormulaC19H14N4O3S
Molecular Weight378.41 g/mol
Exact Mass378.08
IUPAC Name(2E,5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
SMILESCC(=O)N1C(=O)/C(=C2\S/C(=N/c3ccccn3)N(C)C2=O)c2ccccc21
InChIInChI=1S/C19H14N4O3S/c1-11(24)23-13-8-4-3-7-12(13)15(17(23)25)16-18(26)22(2)19(27-16)21-14-9-5-6-10-20-14/h3-10H,1-2H3/b16-15-,21-19+
InChIKeyCQHRULFYVMJHNY-NQZNYCRESA-N
XLogP2.58
TPSA82.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

(2E,5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-methyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 18842713
(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)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 18842404
5-(1-acetyl-2-oxoindol-3-ylidene)-4-sulfanylidene-1,3-thiazolidin-2-one
CID 23989969
3-[(5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
CID 2046245
(5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-(2-ethoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18837526
3-[(5E)-5-(1-acetyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
CID 2046242
5-(1-acetyl-2-oxoindol-3-ylidene)-2-(3,5-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 135459648
4-[(Z)-[(2E)-3-methyl-4-oxo-2-pyridin-2-ylimino-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 18841767
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-[(5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
CID 3150764

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one (CID 18841787) is (2E,5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one is CC(=O)N1C(=O)/C(=C2\S/C(=N/c3ccccn3)N(C)C2=O)c2ccccc21.
What is the InChIKey of (2E,5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The InChIKey is CQHRULFYVMJHNY-NQZNYCRESA-N. The full InChI is InChI=1S/C19H14N4O3S/c1-11(24)23-13-8-4-3-7-12(13)15(17(23)25)16-18(26)22(2)19(27-16)21-14-9-5-6-10-20-14/h3-10H,1-2H3/b16-15-,21-19+.
What are the key properties of (2E,5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
(2E,5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one has a molecular weight of 378.41 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 18841787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).