2-[(1,3-diphenylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C19H15N5OS — CID 135519832

IUPAC2-[(1,3-diphenylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2cn(-c3ccccc3)nc2-c2ccccc2)N1
InChIInChI=1S/C19H15N5OS/c25-17-13-26-19(21-17)22-20-11-15-12-24(16-9-5-2-6-10-16)23-18(15)14-7-3-1-4-8-14/h1-12H,13H2,(H,21,22,25)
InChIKeyWAPONQBNNBVTBP-UHFFFAOYSA-N
MW361.43 g/mol
LogP3.09
Rot. Bonds4

About 2-[(1,3-diphenylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

2-[(1,3-diphenylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135519832) has the molecular formula C19H15N5OS and a molecular weight of 361.43 g/mol. Its IUPAC name is 2-[(1,3-diphenylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(1,3-diphenylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135519832
Molecular FormulaC19H15N5OS
Molecular Weight361.43 g/mol
Exact Mass361.10
IUPAC Name2-[(1,3-diphenylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2cn(-c3ccccc3)nc2-c2ccccc2)N1
InChIInChI=1S/C19H15N5OS/c25-17-13-26-19(21-17)22-20-11-15-12-24(16-9-5-2-6-10-16)23-18(15)14-7-3-1-4-8-14/h1-12H,13H2,(H,21,22,25)
InChIKeyWAPONQBNNBVTBP-UHFFFAOYSA-N
XLogP3.09
TPSA71.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-[(1,3-diphenylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(1,3-diphenylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135519832) is 2-[(1,3-diphenylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(1,3-diphenylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(1,3-diphenylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CSC(=NN=Cc2cn(-c3ccccc3)nc2-c2ccccc2)N1.
What is the InChIKey of 2-[(1,3-diphenylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is WAPONQBNNBVTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5OS/c25-17-13-26-19(21-17)22-20-11-15-12-24(16-9-5-2-6-10-16)23-18(15)14-7-3-1-4-8-14/h1-12H,13H2,(H,21,22,25).
What are the key properties of 2-[(1,3-diphenylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[(1,3-diphenylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 361.43 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-diphenylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135519832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).