(2E)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one

C18H18N4O2S2 — CID 135757259

IUPAC(2E)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one
SMILESCN(C)c1ccc(/C=N/N=C2\NC(=O)C(CC(=O)c3cccs3)S2)cc1
InChIInChI=1S/C18H18N4O2S2/c1-22(2)13-7-5-12(6-8-13)11-19-21-18-20-17(24)16(26-18)10-14(23)15-4-3-9-25-15/h3-9,11,16H,10H2,1-2H3,(H,20,21,24)/b19-11+
InChIKeyMJJWUNJWUABDQT-YBFXNURJSA-N
MW386.50 g/mol
LogP3.01
Rot. Bonds6

About (2E)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one

(2E)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one (PubChem CID 135757259) has the molecular formula C18H18N4O2S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is (2E)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one
PubChem CID135757259
Molecular FormulaC18H18N4O2S2
Molecular Weight386.50 g/mol
Exact Mass386.09
IUPAC Name(2E)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one
SMILESCN(C)c1ccc(/C=N/N=C2\NC(=O)C(CC(=O)c3cccs3)S2)cc1
InChIInChI=1S/C18H18N4O2S2/c1-22(2)13-7-5-12(6-8-13)11-19-21-18-20-17(24)16(26-18)10-14(23)15-4-3-9-25-15/h3-9,11,16H,10H2,1-2H3,(H,20,21,24)/b19-11+
InChIKeyMJJWUNJWUABDQT-YBFXNURJSA-N
XLogP3.01
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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)-2-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-phenacyl-1,3-thiazolidin-4-one
CID 135907437
(2E)-2-[(Z)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-4-one
CID 135706901
2-[2-[[4-(diethylamino)phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135463106
2-[(2E)-2-[(Z)-[4-(diethylamino)phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135715561
(2E,5S)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135763924
(2E,5S)-2-[(Z)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135780040
(2Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 135631927
2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[(3-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 137179848
2-[(2Z,5R)-2-[(Z)-benzylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 136831646
2-[2-(benzylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135527920
2-[(2Z,5R)-4-oxo-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetic acid
CID 135794990
(2E)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 135645351

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one (CID 135757259) is (2E)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one is CN(C)c1ccc(/C=N/N=C2\NC(=O)C(CC(=O)c3cccs3)S2)cc1.
What is the InChIKey of (2E)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one?
The InChIKey is MJJWUNJWUABDQT-YBFXNURJSA-N. The full InChI is InChI=1S/C18H18N4O2S2/c1-22(2)13-7-5-12(6-8-13)11-19-21-18-20-17(24)16(26-18)10-14(23)15-4-3-9-25-15/h3-9,11,16H,10H2,1-2H3,(H,20,21,24)/b19-11+.
What are the key properties of (2E)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one?
(2E)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one has a molecular weight of 386.50 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135757259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).