(2E)-2-[(E)-chromen-2-ylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one

C18H13N3O2S — CID 18884866

IUPAC(2E)-2-[(E)-chromen-2-ylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=c2\ccc3ccccc3o2)N1c1ccccc1
InChIInChI=1S/C18H13N3O2S/c22-17-12-24-18(21(17)14-7-2-1-3-8-14)20-19-16-11-10-13-6-4-5-9-15(13)23-16/h1-11H,12H2/b19-16+,20-18+
InChIKeyWEWRPHOJXBBPHY-LUJNFERBSA-N
MW335.39 g/mol
LogP3.38
Rot. Bonds2

About (2E)-2-[(E)-chromen-2-ylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one

(2E)-2-[(E)-chromen-2-ylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 18884866) has the molecular formula C18H13N3O2S and a molecular weight of 335.39 g/mol. Its IUPAC name is (2E)-2-[(E)-chromen-2-ylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(E)-chromen-2-ylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
PubChem CID18884866
Molecular FormulaC18H13N3O2S
Molecular Weight335.39 g/mol
Exact Mass335.07
IUPAC Name(2E)-2-[(E)-chromen-2-ylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=c2\ccc3ccccc3o2)N1c1ccccc1
InChIInChI=1S/C18H13N3O2S/c22-17-12-24-18(21(17)14-7-2-1-3-8-14)20-19-16-11-10-13-6-4-5-9-15(13)23-16/h1-11H,12H2/b19-16+,20-18+
InChIKeyWEWRPHOJXBBPHY-LUJNFERBSA-N
XLogP3.38
TPSA58.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-chromen-2-ylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(E)-chromen-2-ylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one (CID 18884866) is (2E)-2-[(E)-chromen-2-ylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(E)-chromen-2-ylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(E)-chromen-2-ylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one is O=C1CS/C(=N/N=c2\ccc3ccccc3o2)N1c1ccccc1.
What is the InChIKey of (2E)-2-[(E)-chromen-2-ylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one?
The InChIKey is WEWRPHOJXBBPHY-LUJNFERBSA-N. The full InChI is InChI=1S/C18H13N3O2S/c22-17-12-24-18(21(17)14-7-2-1-3-8-14)20-19-16-11-10-13-6-4-5-9-15(13)23-16/h1-11H,12H2/b19-16+,20-18+.
What are the key properties of (2E)-2-[(E)-chromen-2-ylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one?
(2E)-2-[(E)-chromen-2-ylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 335.39 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-chromen-2-ylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 18884866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).