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

C19H17N5O3S — CID 135510985

IUPAC(2Z,5Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCN(C)c1ccc(/C=N/N=C2/NC(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)S2)cc1
InChIInChI=1S/C19H17N5O3S/c1-23(2)15-7-5-14(6-8-15)12-20-22-19-21-18(25)17(28-19)11-13-3-9-16(10-4-13)24(26)27/h3-12H,1-2H3,(H,21,22,25)/b17-11-,20-12+
InChIKeyMTNRFOBQHKYXHD-XAJBPTSZSA-N
MW395.44 g/mol
LogP3.25
Rot. Bonds5

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

(2Z,5Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135510985) has the molecular formula C19H17N5O3S and a molecular weight of 395.44 g/mol. Its IUPAC name is (2Z,5Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135510985
Molecular FormulaC19H17N5O3S
Molecular Weight395.44 g/mol
Exact Mass395.11
IUPAC Name(2Z,5Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCN(C)c1ccc(/C=N/N=C2/NC(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)S2)cc1
InChIInChI=1S/C19H17N5O3S/c1-23(2)15-7-5-14(6-8-15)12-20-22-19-21-18(25)17(28-19)11-13-3-9-16(10-4-13)24(26)27/h3-12H,1-2H3,(H,21,22,25)/b17-11-,20-12+
InChIKeyMTNRFOBQHKYXHD-XAJBPTSZSA-N
XLogP3.25
TPSA100.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one (CID 135510985) is (2Z,5Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one is CN(C)c1ccc(/C=N/N=C2/NC(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)S2)cc1.
What is the InChIKey of (2Z,5Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is MTNRFOBQHKYXHD-XAJBPTSZSA-N. The full InChI is InChI=1S/C19H17N5O3S/c1-23(2)15-7-5-14(6-8-15)12-20-22-19-21-18(25)17(28-19)11-13-3-9-16(10-4-13)24(26)27/h3-12H,1-2H3,(H,21,22,25)/b17-11-,20-12+.
What are the key properties of (2Z,5Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one?
(2Z,5Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 395.44 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135510985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).