(2E)-2-(benzylidenehydrazinylidene)-5-methyl-1,3-thiazolidin-4-one

C11H11N3OS — CID 135872888

IUPAC(2E)-2-(benzylidenehydrazinylidene)-5-methyl-1,3-thiazolidin-4-one
SMILESCC1S/C(=N/N=Cc2ccccc2)NC1=O
InChIInChI=1S/C11H11N3OS/c1-8-10(15)13-11(16-8)14-12-7-9-5-3-2-4-6-9/h2-8H,1H3,(H,13,14,15)
InChIKeyKQHCKZOYLGMBLE-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.63
Rot. Bonds2

About (2E)-2-(benzylidenehydrazinylidene)-5-methyl-1,3-thiazolidin-4-one

(2E)-2-(benzylidenehydrazinylidene)-5-methyl-1,3-thiazolidin-4-one (PubChem CID 135872888) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is (2E)-2-(benzylidenehydrazinylidene)-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-(benzylidenehydrazinylidene)-5-methyl-1,3-thiazolidin-4-one
PubChem CID135872888
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name(2E)-2-(benzylidenehydrazinylidene)-5-methyl-1,3-thiazolidin-4-one
SMILESCC1S/C(=N/N=Cc2ccccc2)NC1=O
InChIInChI=1S/C11H11N3OS/c1-8-10(15)13-11(16-8)14-12-7-9-5-3-2-4-6-9/h2-8H,1H3,(H,13,14,15)
InChIKeyKQHCKZOYLGMBLE-UHFFFAOYSA-N
XLogP1.63
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.63
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

2-[(E)-benzylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 137224715
2-[(Z)-benzylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 136678200
(2Z,5S)-5-methyl-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135852057
(2E)-5-methyl-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135925722
(5S)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 135935638
(2Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 135631927
(2Z)-2-[(E)-(2-fluorophenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 135426041
(2E,5R)-5-methyl-2-[(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135903534
(2E)-5-methyl-2-[(E)-(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135631928
(2Z,5S)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 136822476
(2E,5R)-2-[(Z)-[4-(diethylamino)phenyl]methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 135851405
5-methyl-2-[(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135514857

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(benzylidenehydrazinylidene)-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-(benzylidenehydrazinylidene)-5-methyl-1,3-thiazolidin-4-one (CID 135872888) is (2E)-2-(benzylidenehydrazinylidene)-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-(benzylidenehydrazinylidene)-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-(benzylidenehydrazinylidene)-5-methyl-1,3-thiazolidin-4-one is CC1S/C(=N/N=Cc2ccccc2)NC1=O.
What is the InChIKey of (2E)-2-(benzylidenehydrazinylidene)-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is KQHCKZOYLGMBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-8-10(15)13-11(16-8)14-12-7-9-5-3-2-4-6-9/h2-8H,1H3,(H,13,14,15).
What are the key properties of (2E)-2-(benzylidenehydrazinylidene)-5-methyl-1,3-thiazolidin-4-one?
(2E)-2-(benzylidenehydrazinylidene)-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 233.30 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(benzylidenehydrazinylidene)-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135872888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).