2-[(2,3-dichloro-5,6-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C10H5Cl2F2N3OS — CID 168576473

IUPAC2-[(2,3-dichloro-5,6-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2c(F)c(F)cc(Cl)c2Cl)N1
InChIInChI=1S/C10H5Cl2F2N3OS/c11-5-1-6(13)9(14)4(8(5)12)2-15-17-10-16-7(18)3-19-10/h1-2H,3H2,(H,16,17,18)
InChIKeyNWYCZIAXQQNHBT-UHFFFAOYSA-N
MW324.14 g/mol
LogP2.82
Rot. Bonds2

About 2-[(2,3-dichloro-5,6-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

2-[(2,3-dichloro-5,6-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168576473) has the molecular formula C10H5Cl2F2N3OS and a molecular weight of 324.14 g/mol. Its IUPAC name is 2-[(2,3-dichloro-5,6-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(2,3-dichloro-5,6-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168576473
Molecular FormulaC10H5Cl2F2N3OS
Molecular Weight324.14 g/mol
Exact Mass322.95
IUPAC Name2-[(2,3-dichloro-5,6-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2c(F)c(F)cc(Cl)c2Cl)N1
InChIInChI=1S/C10H5Cl2F2N3OS/c11-5-1-6(13)9(14)4(8(5)12)2-15-17-10-16-7(18)3-19-10/h1-2H,3H2,(H,16,17,18)
InChIKeyNWYCZIAXQQNHBT-UHFFFAOYSA-N
XLogP2.82
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.14
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', '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 2-[(2,3-dichloro-5,6-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(2,3-dichloro-5,6-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168576473) is 2-[(2,3-dichloro-5,6-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(2,3-dichloro-5,6-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(2,3-dichloro-5,6-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CSC(=NN=Cc2c(F)c(F)cc(Cl)c2Cl)N1.
What is the InChIKey of 2-[(2,3-dichloro-5,6-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is NWYCZIAXQQNHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2F2N3OS/c11-5-1-6(13)9(14)4(8(5)12)2-15-17-10-16-7(18)3-19-10/h1-2H,3H2,(H,16,17,18).
What are the key properties of 2-[(2,3-dichloro-5,6-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[(2,3-dichloro-5,6-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 324.14 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichloro-5,6-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168576473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).