(2Z)-2-[1-(2-oxochromen-3-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one

C14H11N3O3S — CID 135996955

IUPAC(2Z)-2-[1-(2-oxochromen-3-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCC(=N/N=C1/NC(=O)CS1)c1cc2ccccc2oc1=O
InChIInChI=1S/C14H11N3O3S/c1-8(16-17-14-15-12(18)7-21-14)10-6-9-4-2-3-5-11(9)20-13(10)19/h2-6H,7H2,1H3,(H,15,17,18)
InChIKeyWYELPLUTRBPHLT-UHFFFAOYSA-N
MW301.33 g/mol
LogP1.74
Rot. Bonds2

About (2Z)-2-[1-(2-oxochromen-3-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2Z)-2-[1-(2-oxochromen-3-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135996955) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is (2Z)-2-[1-(2-oxochromen-3-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[1-(2-oxochromen-3-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135996955
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC Name(2Z)-2-[1-(2-oxochromen-3-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCC(=N/N=C1/NC(=O)CS1)c1cc2ccccc2oc1=O
InChIInChI=1S/C14H11N3O3S/c1-8(16-17-14-15-12(18)7-21-14)10-6-9-4-2-3-5-11(9)20-13(10)19/h2-6H,7H2,1H3,(H,15,17,18)
InChIKeyWYELPLUTRBPHLT-UHFFFAOYSA-N
XLogP1.74
TPSA84.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[C-methyl-N-[2-[1-(2-oxochromen-3-yl)ethylideneamino]ethyl]carbonimidoyl]chromen-2-one
CID 50741694
3-[(Z)-C-methyl-N-[(E)-[3-phenyl-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene]amino]carbonimidoyl]chromen-2-one
CID 6259368
3-[(E)-N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]chromen-2-one
CID 177375369
3-[N-[(2S)-1-aminopropan-2-yl]-C-methylcarbonimidoyl]chromen-2-one
CID 95242333
3-[N-(2-methoxyphenyl)-C-methylcarbonimidoyl]chromen-2-one
CID 2751679
3-[C-methyl-N-(5-sulfanyl-1H-imidazol-2-yl)carbonimidoyl]chromen-2-one
CID 75541771
3-[(E)-C-methyl-N-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]carbonimidoyl]chromen-2-one
CID 139224805
2-[1-(2-oxochromen-3-yl)ethylidene]propanedinitrile
CID 4737661
3-[(E)-N-(3-chloroanilino)-C-methylcarbonimidoyl]chromen-2-one
CID 139225160
ethyl N-[(Z)-1-(2-oxochromen-3-yl)ethylideneamino]carbamate
CID 8972749
2-[(2Z,5R)-2-[(E)-1-(1-benzofuran-2-yl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 136918321
(4aS,9aR)-6-[1-(2-oxochromen-3-yl)ethylideneamino]-4a,9a-dihydroanthracene-9,10-dione
CID 7160228

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[1-(2-oxochromen-3-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[1-(2-oxochromen-3-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135996955) is (2Z)-2-[1-(2-oxochromen-3-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[1-(2-oxochromen-3-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[1-(2-oxochromen-3-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one is CC(=N/N=C1/NC(=O)CS1)c1cc2ccccc2oc1=O.
What is the InChIKey of (2Z)-2-[1-(2-oxochromen-3-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is WYELPLUTRBPHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c1-8(16-17-14-15-12(18)7-21-14)10-6-9-4-2-3-5-11(9)20-13(10)19/h2-6H,7H2,1H3,(H,15,17,18).
What are the key properties of (2Z)-2-[1-(2-oxochromen-3-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-2-[1-(2-oxochromen-3-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 301.33 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[1-(2-oxochromen-3-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135996955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).