(2E)-2-[(Z)-pentan-2-ylidenehydrazinylidene]-1,3-thiazolidin-4-one

C8H13N3OS — CID 137100903

IUPAC(2E)-2-[(Z)-pentan-2-ylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCC/C(C)=N\N=C1/NC(=O)CS1
InChIInChI=1S/C8H13N3OS/c1-3-4-6(2)10-11-8-9-7(12)5-13-8/h3-5H2,1-2H3,(H,9,11,12)/b10-6-
InChIKeyXUVOBQVPEHYPAD-POHAHGRESA-N
MW199.28 g/mol
LogP1.38
Rot. Bonds3

About (2E)-2-[(Z)-pentan-2-ylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2E)-2-[(Z)-pentan-2-ylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 137100903) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is (2E)-2-[(Z)-pentan-2-ylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(Z)-pentan-2-ylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID137100903
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name(2E)-2-[(Z)-pentan-2-ylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCC/C(C)=N\N=C1/NC(=O)CS1
InChIInChI=1S/C8H13N3OS/c1-3-4-6(2)10-11-8-9-7(12)5-13-8/h3-5H2,1-2H3,(H,9,11,12)/b10-6-
InChIKeyXUVOBQVPEHYPAD-POHAHGRESA-N
XLogP1.38
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(Z)-pentan-2-ylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(Z)-pentan-2-ylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 137100903) is (2E)-2-[(Z)-pentan-2-ylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(Z)-pentan-2-ylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(Z)-pentan-2-ylidenehydrazinylidene]-1,3-thiazolidin-4-one is CCC/C(C)=N\N=C1/NC(=O)CS1.
What is the InChIKey of (2E)-2-[(Z)-pentan-2-ylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is XUVOBQVPEHYPAD-POHAHGRESA-N. The full InChI is InChI=1S/C8H13N3OS/c1-3-4-6(2)10-11-8-9-7(12)5-13-8/h3-5H2,1-2H3,(H,9,11,12)/b10-6-.
What are the key properties of (2E)-2-[(Z)-pentan-2-ylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-2-[(Z)-pentan-2-ylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 199.28 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-pentan-2-ylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137100903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).