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

C10H8ClN3O2S — CID 137014973

IUPAC(2E)-2-[(Z)-(3-chloro-4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C\c2ccc(O)c(Cl)c2)N1
InChIInChI=1S/C10H8ClN3O2S/c11-7-3-6(1-2-8(7)15)4-12-14-10-13-9(16)5-17-10/h1-4,15H,5H2,(H,13,14,16)/b12-4-
InChIKeyUUFAEFWZKHHISK-QCDXTXTGSA-N
MW269.71 g/mol
LogP1.60
Rot. Bonds2

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

(2E)-2-[(Z)-(3-chloro-4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 137014973) has the molecular formula C10H8ClN3O2S and a molecular weight of 269.71 g/mol. Its IUPAC name is (2E)-2-[(Z)-(3-chloro-4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(Z)-(3-chloro-4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID137014973
Molecular FormulaC10H8ClN3O2S
Molecular Weight269.71 g/mol
Exact Mass269.00
IUPAC Name(2E)-2-[(Z)-(3-chloro-4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C\c2ccc(O)c(Cl)c2)N1
InChIInChI=1S/C10H8ClN3O2S/c11-7-3-6(1-2-8(7)15)4-12-14-10-13-9(16)5-17-10/h1-4,15H,5H2,(H,13,14,16)/b12-4-
InChIKeyUUFAEFWZKHHISK-QCDXTXTGSA-N
XLogP1.60
TPSA74.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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 (2E)-2-[(Z)-(3-chloro-4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(Z)-(3-chloro-4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 137014973) is (2E)-2-[(Z)-(3-chloro-4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(Z)-(3-chloro-4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(Z)-(3-chloro-4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CS/C(=N/N=C\c2ccc(O)c(Cl)c2)N1.
What is the InChIKey of (2E)-2-[(Z)-(3-chloro-4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is UUFAEFWZKHHISK-QCDXTXTGSA-N. The full InChI is InChI=1S/C10H8ClN3O2S/c11-7-3-6(1-2-8(7)15)4-12-14-10-13-9(16)5-17-10/h1-4,15H,5H2,(H,13,14,16)/b12-4-.
What are the key properties of (2E)-2-[(Z)-(3-chloro-4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-2-[(Z)-(3-chloro-4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 269.71 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-(3-chloro-4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137014973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).