(3Z)-3-[(E)-[3-methyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]hydrazinylidene]-5-nitro-1H-indol-2-one

C19H15N5O3S — CID 176513815

IUPAC(3Z)-3-[(E)-[3-methyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]hydrazinylidene]-5-nitro-1H-indol-2-one
SMILESCc1ccc(-c2cs/c(=N/N=C3\C(=O)Nc4ccc([N+](=O)[O-])cc43)n2C)cc1
InChIInChI=1S/C19H15N5O3S/c1-11-3-5-12(6-4-11)16-10-28-19(23(16)2)22-21-17-14-9-13(24(26)27)7-8-15(14)20-18(17)25/h3-10H,1-2H3,(H,20,21,25)/b22-19+
InChIKeyZKWDTZDEQOGZKV-ZBJSNUHESA-N
MW393.43 g/mol
LogP3.23
Rot. Bonds3

About (3Z)-3-[(E)-[3-methyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]hydrazinylidene]-5-nitro-1H-indol-2-one

(3Z)-3-[(E)-[3-methyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]hydrazinylidene]-5-nitro-1H-indol-2-one (PubChem CID 176513815) has the molecular formula C19H15N5O3S and a molecular weight of 393.43 g/mol. Its IUPAC name is (3Z)-3-[(E)-[3-methyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]hydrazinylidene]-5-nitro-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(E)-[3-methyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]hydrazinylidene]-5-nitro-1H-indol-2-one
PubChem CID176513815
Molecular FormulaC19H15N5O3S
Molecular Weight393.43 g/mol
Exact Mass393.09
IUPAC Name(3Z)-3-[(E)-[3-methyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]hydrazinylidene]-5-nitro-1H-indol-2-one
SMILESCc1ccc(-c2cs/c(=N/N=C3\C(=O)Nc4ccc([N+](=O)[O-])cc43)n2C)cc1
InChIInChI=1S/C19H15N5O3S/c1-11-3-5-12(6-4-11)16-10-28-19(23(16)2)22-21-17-14-9-13(24(26)27)7-8-15(14)20-18(17)25/h3-10H,1-2H3,(H,20,21,25)/b22-19+
InChIKeyZKWDTZDEQOGZKV-ZBJSNUHESA-N
XLogP3.23
TPSA101.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3Z)-3-[(E)-[3-methyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]hydrazinylidene]-5-nitro-1H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(E)-[3-methyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]hydrazinylidene]-5-nitro-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(E)-[3-methyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]hydrazinylidene]-5-nitro-1H-indol-2-one (CID 176513815) is (3Z)-3-[(E)-[3-methyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]hydrazinylidene]-5-nitro-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(E)-[3-methyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]hydrazinylidene]-5-nitro-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(E)-[3-methyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]hydrazinylidene]-5-nitro-1H-indol-2-one is Cc1ccc(-c2cs/c(=N/N=C3\C(=O)Nc4ccc([N+](=O)[O-])cc43)n2C)cc1.
What is the InChIKey of (3Z)-3-[(E)-[3-methyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]hydrazinylidene]-5-nitro-1H-indol-2-one?
The InChIKey is ZKWDTZDEQOGZKV-ZBJSNUHESA-N. The full InChI is InChI=1S/C19H15N5O3S/c1-11-3-5-12(6-4-11)16-10-28-19(23(16)2)22-21-17-14-9-13(24(26)27)7-8-15(14)20-18(17)25/h3-10H,1-2H3,(H,20,21,25)/b22-19+.
What are the key properties of (3Z)-3-[(E)-[3-methyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]hydrazinylidene]-5-nitro-1H-indol-2-one?
(3Z)-3-[(E)-[3-methyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]hydrazinylidene]-5-nitro-1H-indol-2-one has a molecular weight of 393.43 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(E)-[3-methyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]hydrazinylidene]-5-nitro-1H-indol-2-one is sourced from PubChem (CID 176513815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).