4-[2-(1,3-thiazol-4-yl)ethanehydrazonoyl]benzene-1,3-diol

C11H11N3O2S — CID 135842497

IUPAC4-[2-(1,3-thiazol-4-yl)ethanehydrazonoyl]benzene-1,3-diol
SMILESN/N=C(/Cc1cscn1)c1ccc(O)cc1O
InChIInChI=1S/C11H11N3O2S/c12-14-10(3-7-5-17-6-13-7)9-2-1-8(15)4-11(9)16/h1-2,4-6,15-16H,3,12H2/b14-10-
InChIKeyZGSZQNACRIWTMG-UVTDQMKNSA-N
MW249.30 g/mol
LogP1.46
Rot. Bonds3

About 4-[2-(1,3-thiazol-4-yl)ethanehydrazonoyl]benzene-1,3-diol

4-[2-(1,3-thiazol-4-yl)ethanehydrazonoyl]benzene-1,3-diol (PubChem CID 135842497) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 4-[2-(1,3-thiazol-4-yl)ethanehydrazonoyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[2-(1,3-thiazol-4-yl)ethanehydrazonoyl]benzene-1,3-diol
PubChem CID135842497
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name4-[2-(1,3-thiazol-4-yl)ethanehydrazonoyl]benzene-1,3-diol
SMILESN/N=C(/Cc1cscn1)c1ccc(O)cc1O
InChIInChI=1S/C11H11N3O2S/c12-14-10(3-7-5-17-6-13-7)9-2-1-8(15)4-11(9)16/h1-2,4-6,15-16H,3,12H2/b14-10-
InChIKeyZGSZQNACRIWTMG-UVTDQMKNSA-N
XLogP1.46
TPSA91.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 4-[2-(1,3-thiazol-4-yl)ethanehydrazonoyl]benzene-1,3-diol?
The IUPAC name of 4-[2-(1,3-thiazol-4-yl)ethanehydrazonoyl]benzene-1,3-diol (CID 135842497) is 4-[2-(1,3-thiazol-4-yl)ethanehydrazonoyl]benzene-1,3-diol.
What is the SMILES notation for 4-[2-(1,3-thiazol-4-yl)ethanehydrazonoyl]benzene-1,3-diol?
The canonical SMILES for 4-[2-(1,3-thiazol-4-yl)ethanehydrazonoyl]benzene-1,3-diol is N/N=C(/Cc1cscn1)c1ccc(O)cc1O.
What is the InChIKey of 4-[2-(1,3-thiazol-4-yl)ethanehydrazonoyl]benzene-1,3-diol?
The InChIKey is ZGSZQNACRIWTMG-UVTDQMKNSA-N. The full InChI is InChI=1S/C11H11N3O2S/c12-14-10(3-7-5-17-6-13-7)9-2-1-8(15)4-11(9)16/h1-2,4-6,15-16H,3,12H2/b14-10-.
What are the key properties of 4-[2-(1,3-thiazol-4-yl)ethanehydrazonoyl]benzene-1,3-diol?
4-[2-(1,3-thiazol-4-yl)ethanehydrazonoyl]benzene-1,3-diol has a molecular weight of 249.30 g/mol, XLogP of 1.46, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3-thiazol-4-yl)ethanehydrazonoyl]benzene-1,3-diol is sourced from PubChem (CID 135842497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).