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

C10H7ClFN3OS — CID 135647235

IUPAC(2Z)-2-[(E)-(2-chloro-6-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\N=C\c2c(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)/b13-4+
InChIKeyFZMOFYNVMBFEMQ-YIXHJXPBSA-N
MW271.70 g/mol
LogP2.03
Rot. Bonds2

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

(2Z)-2-[(E)-(2-chloro-6-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135647235) has the molecular formula C10H7ClFN3OS and a molecular weight of 271.70 g/mol. Its IUPAC name is (2Z)-2-[(E)-(2-chloro-6-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(E)-(2-chloro-6-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135647235
Molecular FormulaC10H7ClFN3OS
Molecular Weight271.70 g/mol
Exact Mass271.00
IUPAC Name(2Z)-2-[(E)-(2-chloro-6-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\N=C\c2c(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)/b13-4+
InChIKeyFZMOFYNVMBFEMQ-YIXHJXPBSA-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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Related Compounds

(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135461369
4-Fluorobenzaldehyde (4-oxo-4,5-dihydro-1,3-thiazol-2-YL)hydrazone
CID 135631924
CID 276653
CID 276653
(2E)-2-[(E)-(3-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136066072
(2E)-2-[(E)-(3-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136066073
4-amino-3-((2-chloro-6-fluorobenzyl)thio)-1,2,4-triazin-5(4H)-one
CID 7196838
2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-5-methyl-1,3-thiazol-4-one
CID 135426041
4-Fluorobenzaldehyde (4-oxo-1,3-thiazolidin-2-ylidene)hydrazone
CID 135478259
Benzaldehyde, 2-fluoro-, (5-methyl-4-oxothiazolidin-2-ylideno)hydrazone
CID 135479852
(2E)-2-[(2E)-2-(phenylmethylidene)hydrazin-1-ylidene]-1,3-thiazolidin-4-one
CID 135533131
(2E)-2-[(Z)-benzylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135925060
(2E)-3-(2-chloro-6-fluorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)prop-2-enamide
CID 897735

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-(2-chloro-6-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(E)-(2-chloro-6-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135647235) is (2Z)-2-[(E)-(2-chloro-6-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(E)-(2-chloro-6-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(E)-(2-chloro-6-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CS/C(=N\N=C\c2c(F)cccc2Cl)N1.
What is the InChIKey of (2Z)-2-[(E)-(2-chloro-6-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is FZMOFYNVMBFEMQ-YIXHJXPBSA-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)/b13-4+.
What are the key properties of (2Z)-2-[(E)-(2-chloro-6-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-2-[(E)-(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-[(E)-(2-chloro-6-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135647235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).