(2E)-2-[(E)-1-(1-adamantyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one

C15H21N3OS — CID 135633895

IUPAC(2E)-2-[(E)-1-(1-adamantyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N\N=C1/NC(=O)CS1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H21N3OS/c1-9(17-18-14-16-13(19)8-20-14)15-5-10-2-11(6-15)4-12(3-10)7-15/h10-12H,2-8H2,1H3,(H,16,18,19)/b17-9+
InChIKeyQBCAKMBUGICVCZ-RQZCQDPDSA-N
MW291.42 g/mol
LogP2.80
Rot. Bonds2

About (2E)-2-[(E)-1-(1-adamantyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2E)-2-[(E)-1-(1-adamantyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135633895) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is (2E)-2-[(E)-1-(1-adamantyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(E)-1-(1-adamantyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135633895
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name(2E)-2-[(E)-1-(1-adamantyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N\N=C1/NC(=O)CS1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H21N3OS/c1-9(17-18-14-16-13(19)8-20-14)15-5-10-2-11(6-15)4-12(3-10)7-15/h10-12H,2-8H2,1H3,(H,16,18,19)/b17-9+
InChIKeyQBCAKMBUGICVCZ-RQZCQDPDSA-N
XLogP2.80
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.80
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-[(E)-1-(1-adamantyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(E)-1-(1-adamantyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135633895) is (2E)-2-[(E)-1-(1-adamantyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(E)-1-(1-adamantyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(E)-1-(1-adamantyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one is C/C(=N\N=C1/NC(=O)CS1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (2E)-2-[(E)-1-(1-adamantyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is QBCAKMBUGICVCZ-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-9(17-18-14-16-13(19)8-20-14)15-5-10-2-11(6-15)4-12(3-10)7-15/h10-12H,2-8H2,1H3,(H,16,18,19)/b17-9+.
What are the key properties of (2E)-2-[(E)-1-(1-adamantyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-2-[(E)-1-(1-adamantyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 291.42 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-1-(1-adamantyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135633895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).