(2Z)-2-[(2-chloro-6-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C10H7ClFN3OS — CID 135706611

IUPAC(2Z)-2-[(2-chloro-6-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\N=Cc2c(F)cccc2Cl)N1
InChIInChI=1S/C10H7ClFN3OS/c11-7-2-1-3-8(12)6(7)4-13-15-10-14-9(16)5-17-10/h1-4H,5H2,(H,14,15,16)
InChIKeyFZMOFYNVMBFEMQ-UHFFFAOYSA-N
MW271.70 g/mol
LogP2.03
Rot. Bonds2

About (2Z)-2-[(2-chloro-6-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2Z)-2-[(2-chloro-6-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135706611) has the molecular formula C10H7ClFN3OS and a molecular weight of 271.70 g/mol. Its IUPAC name is (2Z)-2-[(2-chloro-6-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(2-chloro-6-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135706611
Molecular FormulaC10H7ClFN3OS
Molecular Weight271.70 g/mol
Exact Mass271.00
IUPAC Name(2Z)-2-[(2-chloro-6-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\N=Cc2c(F)cccc2Cl)N1
InChIInChI=1S/C10H7ClFN3OS/c11-7-2-1-3-8(12)6(7)4-13-15-10-14-9(16)5-17-10/h1-4H,5H2,(H,14,15,16)
InChIKeyFZMOFYNVMBFEMQ-UHFFFAOYSA-N
XLogP2.03
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 52.03
H-Bond Donors ≤ 51
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-[(2-chloro-6-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(2-chloro-6-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135706611) is (2Z)-2-[(2-chloro-6-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(2-chloro-6-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(2-chloro-6-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CS/C(=N\N=Cc2c(F)cccc2Cl)N1.
What is the InChIKey of (2Z)-2-[(2-chloro-6-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is FZMOFYNVMBFEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3OS/c11-7-2-1-3-8(12)6(7)4-13-15-10-14-9(16)5-17-10/h1-4H,5H2,(H,14,15,16).
What are the key properties of (2Z)-2-[(2-chloro-6-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-2-[(2-chloro-6-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 271.70 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2-chloro-6-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135706611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).