(2Z)-2-[(E)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one

C19H18FN3OS — CID 6880042

IUPAC(2Z)-2-[(E)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESCc1ccc(/C=N/N=C2\SCC(=O)N2Cc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C19H18FN3OS/c1-13-3-6-16(14(2)9-13)10-21-22-19-23(18(24)12-25-19)11-15-4-7-17(20)8-5-15/h3-10H,11-12H2,1-2H3/b21-10+,22-19-
InChIKeyHANCFBNCQGTTLO-QLBZYLJCSA-N
MW355.44 g/mol
LogP3.91
Rot. Bonds4

About (2Z)-2-[(E)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one

(2Z)-2-[(E)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 6880042) has the molecular formula C19H18FN3OS and a molecular weight of 355.44 g/mol. Its IUPAC name is (2Z)-2-[(E)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(E)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID6880042
Molecular FormulaC19H18FN3OS
Molecular Weight355.44 g/mol
Exact Mass355.12
IUPAC Name(2Z)-2-[(E)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESCc1ccc(/C=N/N=C2\SCC(=O)N2Cc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C19H18FN3OS/c1-13-3-6-16(14(2)9-13)10-21-22-19-23(18(24)12-25-19)11-15-4-7-17(20)8-5-15/h3-10H,11-12H2,1-2H3/b21-10+,22-19-
InChIKeyHANCFBNCQGTTLO-QLBZYLJCSA-N
XLogP3.91
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(E)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one (CID 6880042) is (2Z)-2-[(E)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(E)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(E)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one is Cc1ccc(/C=N/N=C2\SCC(=O)N2Cc2ccc(F)cc2)c(C)c1.
What is the InChIKey of (2Z)-2-[(E)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is HANCFBNCQGTTLO-QLBZYLJCSA-N. The full InChI is InChI=1S/C19H18FN3OS/c1-13-3-6-16(14(2)9-13)10-21-22-19-23(18(24)12-25-19)11-15-4-7-17(20)8-5-15/h3-10H,11-12H2,1-2H3/b21-10+,22-19-.
What are the key properties of (2Z)-2-[(E)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
(2Z)-2-[(E)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 355.44 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 6880042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).