(2Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one

C13H16N4OS — CID 135631927

IUPAC(2Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
SMILESCC1S/C(=N\N=C\c2ccc(N(C)C)cc2)NC1=O
InChIInChI=1S/C13H16N4OS/c1-9-12(18)15-13(19-9)16-14-8-10-4-6-11(7-5-10)17(2)3/h4-9H,1-3H3,(H,15,16,18)/b14-8+
InChIKeyZILZXTYMULSQQD-RIYZIHGNSA-N
MW276.37 g/mol
LogP1.69
Rot. Bonds3

About (2Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one

(2Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one (PubChem CID 135631927) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is (2Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
PubChem CID135631927
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name(2Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
SMILESCC1S/C(=N\N=C\c2ccc(N(C)C)cc2)NC1=O
InChIInChI=1S/C13H16N4OS/c1-9-12(18)15-13(19-9)16-14-8-10-4-6-11(7-5-10)17(2)3/h4-9H,1-3H3,(H,15,16,18)/b14-8+
InChIKeyZILZXTYMULSQQD-RIYZIHGNSA-N
XLogP1.69
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(2E,5R)-2-[(Z)-[4-(diethylamino)phenyl]methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 135851405
(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
(2E)-2-(benzylidenehydrazinylidene)-5-methyl-1,3-thiazolidin-4-one
CID 135872888
2-[(E)-benzylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 137224715
2-[(Z)-benzylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 136678200
(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
(2E,5S)-2-[(Z)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135780040
(2E,5S)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135763924
(2Z)-2-[(E)-1,3-benzodioxol-5-ylmethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 135677675

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one (CID 135631927) is (2Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one is CC1S/C(=N\N=C\c2ccc(N(C)C)cc2)NC1=O.
What is the InChIKey of (2Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is ZILZXTYMULSQQD-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-9-12(18)15-13(19-9)16-14-8-10-4-6-11(7-5-10)17(2)3/h4-9H,1-3H3,(H,15,16,18)/b14-8+.
What are the key properties of (2Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
(2Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 276.37 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135631927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).