(2E)-2-[[(5R)-3,3,5-trimethylcyclohexylidene]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C13H19N3OS — CID 176531190

IUPAC(2E)-2-[[(5R)-3,3,5-trimethylcyclohexylidene]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC[C@H]1CC(=C=N/N=C2\NC(=O)CS2)CC(C)(C)C1
InChIInChI=1S/C13H19N3OS/c1-9-4-10(6-13(2,3)5-9)7-14-16-12-15-11(17)8-18-12/h9H,4-6,8H2,1-3H3,(H,15,16,17)/t9-/m0/s1
InChIKeyOXVDIHJGIBOGDF-VIFPVBQESA-N
MW265.38 g/mol
LogP2.56
Rot. Bonds1

About (2E)-2-[[(5R)-3,3,5-trimethylcyclohexylidene]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2E)-2-[[(5R)-3,3,5-trimethylcyclohexylidene]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 176531190) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is (2E)-2-[[(5R)-3,3,5-trimethylcyclohexylidene]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[[(5R)-3,3,5-trimethylcyclohexylidene]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID176531190
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name(2E)-2-[[(5R)-3,3,5-trimethylcyclohexylidene]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC[C@H]1CC(=C=N/N=C2\NC(=O)CS2)CC(C)(C)C1
InChIInChI=1S/C13H19N3OS/c1-9-4-10(6-13(2,3)5-9)7-14-16-12-15-11(17)8-18-12/h9H,4-6,8H2,1-3H3,(H,15,16,17)/t9-/m0/s1
InChIKeyOXVDIHJGIBOGDF-VIFPVBQESA-N
XLogP2.56
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.56
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'}

Analyze (2E)-2-[[(5R)-3,3,5-trimethylcyclohexylidene]methylidenehydrazinylidene]-1,3-thiazolidin-4-one with MolForge

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Related Compounds

(2Z)-2-[[(5S)-3,3,5-trimethylcyclohexylidene]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 176524830
(2E)-2-[(Z)-[(5S)-3,3,5-trimethylcyclohexylidene]hydrazinylidene]-1,3-thiazolidin-4-one
CID 135779942
2-methylimino-1,3-thiazolidin-4-one
CID 135778872
(2Z)-2-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135800090
2-[[3-(4-ethylphenyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574049
2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one
CID 135468637
(2E)-2-[(Z)-pentan-2-ylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137100903
2-cyclohexylimino-1,3-thiazolidin-4-one
CID 135416648
2-(cyclopropylmethylimino)-1,3-thiazolidin-4-one
CID 135990436
(2Z)-2-[(E)-1-cyclohexylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137167956
(2Z)-2-(1-cyclohexylethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 137190321
2-[(4-tert-butylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 135519634

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[[(5R)-3,3,5-trimethylcyclohexylidene]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[[(5R)-3,3,5-trimethylcyclohexylidene]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 176531190) is (2E)-2-[[(5R)-3,3,5-trimethylcyclohexylidene]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[[(5R)-3,3,5-trimethylcyclohexylidene]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[[(5R)-3,3,5-trimethylcyclohexylidene]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is C[C@H]1CC(=C=N/N=C2\NC(=O)CS2)CC(C)(C)C1.
What is the InChIKey of (2E)-2-[[(5R)-3,3,5-trimethylcyclohexylidene]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is OXVDIHJGIBOGDF-VIFPVBQESA-N. The full InChI is InChI=1S/C13H19N3OS/c1-9-4-10(6-13(2,3)5-9)7-14-16-12-15-11(17)8-18-12/h9H,4-6,8H2,1-3H3,(H,15,16,17)/t9-/m0/s1.
What are the key properties of (2E)-2-[[(5R)-3,3,5-trimethylcyclohexylidene]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-2-[[(5R)-3,3,5-trimethylcyclohexylidene]methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 265.38 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[[(5R)-3,3,5-trimethylcyclohexylidene]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 176531190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).