(3Z)-3-[(Z)-[4-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]hydrazinylidene]inden-1-one

C24H16ClN3OS — CID 9499091

IUPAC(3Z)-3-[(Z)-[4-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]hydrazinylidene]inden-1-one
SMILESO=C1C/C(=N/N=c2\scc(-c3ccc(Cl)cc3)n2-c2ccccc2)c2ccccc21
InChIInChI=1S/C24H16ClN3OS/c25-17-12-10-16(11-13-17)22-15-30-24(28(22)18-6-2-1-3-7-18)27-26-21-14-23(29)20-9-5-4-8-19(20)21/h1-13,15H,14H2/b26-21-,27-24-
InChIKeyPGUFQQJWSLCLJN-OLPWBVPVSA-N
MW429.93 g/mol
LogP5.75
Rot. Bonds3

About (3Z)-3-[(Z)-[4-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]hydrazinylidene]inden-1-one

(3Z)-3-[(Z)-[4-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]hydrazinylidene]inden-1-one (PubChem CID 9499091) has the molecular formula C24H16ClN3OS and a molecular weight of 429.93 g/mol. Its IUPAC name is (3Z)-3-[(Z)-[4-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]hydrazinylidene]inden-1-one.

Molecular Properties

Compound Name(3Z)-3-[(Z)-[4-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]hydrazinylidene]inden-1-one
PubChem CID9499091
Molecular FormulaC24H16ClN3OS
Molecular Weight429.93 g/mol
Exact Mass429.07
IUPAC Name(3Z)-3-[(Z)-[4-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]hydrazinylidene]inden-1-one
SMILESO=C1C/C(=N/N=c2\scc(-c3ccc(Cl)cc3)n2-c2ccccc2)c2ccccc21
InChIInChI=1S/C24H16ClN3OS/c25-17-12-10-16(11-13-17)22-15-30-24(28(22)18-6-2-1-3-7-18)27-26-21-14-23(29)20-9-5-4-8-19(20)21/h1-13,15H,14H2/b26-21-,27-24-
InChIKeyPGUFQQJWSLCLJN-OLPWBVPVSA-N
XLogP5.75
TPSA46.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.93
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 (3Z)-3-[(Z)-[4-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]hydrazinylidene]inden-1-one?
The IUPAC name of (3Z)-3-[(Z)-[4-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]hydrazinylidene]inden-1-one (CID 9499091) is (3Z)-3-[(Z)-[4-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]hydrazinylidene]inden-1-one.
What is the SMILES notation for (3Z)-3-[(Z)-[4-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]hydrazinylidene]inden-1-one?
The canonical SMILES for (3Z)-3-[(Z)-[4-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]hydrazinylidene]inden-1-one is O=C1C/C(=N/N=c2\scc(-c3ccc(Cl)cc3)n2-c2ccccc2)c2ccccc21.
What is the InChIKey of (3Z)-3-[(Z)-[4-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]hydrazinylidene]inden-1-one?
The InChIKey is PGUFQQJWSLCLJN-OLPWBVPVSA-N. The full InChI is InChI=1S/C24H16ClN3OS/c25-17-12-10-16(11-13-17)22-15-30-24(28(22)18-6-2-1-3-7-18)27-26-21-14-23(29)20-9-5-4-8-19(20)21/h1-13,15H,14H2/b26-21-,27-24-.
What are the key properties of (3Z)-3-[(Z)-[4-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]hydrazinylidene]inden-1-one?
(3Z)-3-[(Z)-[4-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]hydrazinylidene]inden-1-one has a molecular weight of 429.93 g/mol, XLogP of 5.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(Z)-[4-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]hydrazinylidene]inden-1-one is sourced from PubChem (CID 9499091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).