4-[(E)-1,3-thiazol-2-yliminomethyl]benzene-1,3-diol

C10H8N2O2S — CID 135499694

IUPAC4-[(E)-1,3-thiazol-2-yliminomethyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/c2nccs2)c(O)c1
InChIInChI=1S/C10H8N2O2S/c13-8-2-1-7(9(14)5-8)6-12-10-11-3-4-15-10/h1-6,13-14H/b12-6+
InChIKeyBIPYEPDCLVYFRD-WUXMJOGZSA-N
MW220.25 g/mol
LogP2.30
Rot. Bonds2

About 4-[(E)-1,3-thiazol-2-yliminomethyl]benzene-1,3-diol

4-[(E)-1,3-thiazol-2-yliminomethyl]benzene-1,3-diol (PubChem CID 135499694) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 4-[(E)-1,3-thiazol-2-yliminomethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(E)-1,3-thiazol-2-yliminomethyl]benzene-1,3-diol
PubChem CID135499694
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name4-[(E)-1,3-thiazol-2-yliminomethyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/c2nccs2)c(O)c1
InChIInChI=1S/C10H8N2O2S/c13-8-2-1-7(9(14)5-8)6-12-10-11-3-4-15-10/h1-6,13-14H/b12-6+
InChIKeyBIPYEPDCLVYFRD-WUXMJOGZSA-N
XLogP2.30
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-((Thiazol-2-ylimino)methyl)benzene-1,3-diol
CID 394207
Phenol, 4-[(2-thiazolylimino)methyl]-
CID 135477882
4-[1-(1,3-Thiazol-2-yl)ethyl]benzene-1,3-diol
CID 68281613
4-Chloro-2-[(1,3-thiazol-2-ylimino)methyl]phenol
CID 135449186
(E)-2-bromo-6-((thiazol-2-ylimino)methyl)phenol
CID 135549481
2-((1E)-2-(1,3-thiazol-2-yl)-2-azavinyl)phenol
CID 135400508
3-(1,3-Thiazol-2-yldiazenyl)oxyphenol
CID 91328908
4-Chloro-2-(1,3-thiazol-2-yliminomethyl)phenol
CID 779705
4-(1,3-Thiazol-2-yliminomethyl)phenol
CID 1205614
4-bromo-2-[(E)-(1,3-thiazol-2-ylimino)methyl]phenol
CID 135800067
Salicylaldehyde thiazolyl hydrazone
CID 2789386
Thiazolylazomethylphenol
CID 129888793

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1,3-thiazol-2-yliminomethyl]benzene-1,3-diol?
The IUPAC name of 4-[(E)-1,3-thiazol-2-yliminomethyl]benzene-1,3-diol (CID 135499694) is 4-[(E)-1,3-thiazol-2-yliminomethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(E)-1,3-thiazol-2-yliminomethyl]benzene-1,3-diol?
The canonical SMILES for 4-[(E)-1,3-thiazol-2-yliminomethyl]benzene-1,3-diol is Oc1ccc(/C=N/c2nccs2)c(O)c1.
What is the InChIKey of 4-[(E)-1,3-thiazol-2-yliminomethyl]benzene-1,3-diol?
The InChIKey is BIPYEPDCLVYFRD-WUXMJOGZSA-N. The full InChI is InChI=1S/C10H8N2O2S/c13-8-2-1-7(9(14)5-8)6-12-10-11-3-4-15-10/h1-6,13-14H/b12-6+.
What are the key properties of 4-[(E)-1,3-thiazol-2-yliminomethyl]benzene-1,3-diol?
4-[(E)-1,3-thiazol-2-yliminomethyl]benzene-1,3-diol has a molecular weight of 220.25 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1,3-thiazol-2-yliminomethyl]benzene-1,3-diol is sourced from PubChem (CID 135499694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).