(2Z)-5-methyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one

C7H11N3OS — CID 135941737

IUPAC(2Z)-5-methyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESCC(C)=N/N=C1/NC(=O)C(C)S1
InChIInChI=1S/C7H11N3OS/c1-4(2)9-10-7-8-6(11)5(3)12-7/h5H,1-3H3,(H,8,10,11)
InChIKeyGERBDSYNZUNKSH-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.99
Rot. Bonds1

About (2Z)-5-methyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one

(2Z)-5-methyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one (PubChem CID 135941737) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is (2Z)-5-methyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-5-methyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
PubChem CID135941737
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name(2Z)-5-methyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESCC(C)=N/N=C1/NC(=O)C(C)S1
InChIInChI=1S/C7H11N3OS/c1-4(2)9-10-7-8-6(11)5(3)12-7/h5H,1-3H3,(H,8,10,11)
InChIKeyGERBDSYNZUNKSH-UHFFFAOYSA-N
XLogP0.99
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.99
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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Related Compounds

(2Z,5S)-5-methyl-2-[(E)-1-(4-methylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136822477
(5R)-5-methyl-2-(1-phenylethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 137195595
(2Z,5R)-5-methyl-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135851403
(2Z,5R)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 135900795
(2E,5R)-5-methyl-2-[(E)-1-naphthalen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136728737
(2Z)-5-(4-chlorophenyl)-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135509611
5-(4-chlorophenyl)-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135524351
(2E)-5-(4-chlorophenyl)-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135476801
(2Z,5S)-5-methyl-2-[(E)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135674822
2-[(2Z,5R)-2-[(Z)-butan-2-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 135568896
2-[(E)-benzylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 137224715
(2E)-2-(benzylidenehydrazinylidene)-5-methyl-1,3-thiazolidin-4-one
CID 135872888

Frequently Asked Questions

What is the IUPAC name of (2Z)-5-methyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-5-methyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one (CID 135941737) is (2Z)-5-methyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-5-methyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-5-methyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one is CC(C)=N/N=C1/NC(=O)C(C)S1.
What is the InChIKey of (2Z)-5-methyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The InChIKey is GERBDSYNZUNKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-4(2)9-10-7-8-6(11)5(3)12-7/h5H,1-3H3,(H,8,10,11).
What are the key properties of (2Z)-5-methyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one?
(2Z)-5-methyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one has a molecular weight of 185.25 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-methyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135941737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).