4-(2-hydrazinyl-1,3-thiazol-4-yl)benzene-1,2-diol

C9H9N3O2S — CID 839872

IUPAC4-(2-hydrazinyl-1,3-thiazol-4-yl)benzene-1,2-diol
SMILESNNc1nc(-c2ccc(O)c(O)c2)cs1
InChIInChI=1S/C9H9N3O2S/c10-12-9-11-6(4-15-9)5-1-2-7(13)8(14)3-5/h1-4,13-14H,10H2,(H,11,12)
InChIKeyQXRBRUTXADCWTH-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.51
Rot. Bonds2

About 4-(2-hydrazinyl-1,3-thiazol-4-yl)benzene-1,2-diol

4-(2-hydrazinyl-1,3-thiazol-4-yl)benzene-1,2-diol (PubChem CID 839872) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is 4-(2-hydrazinyl-1,3-thiazol-4-yl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(2-hydrazinyl-1,3-thiazol-4-yl)benzene-1,2-diol
PubChem CID839872
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC Name4-(2-hydrazinyl-1,3-thiazol-4-yl)benzene-1,2-diol
SMILESNNc1nc(-c2ccc(O)c(O)c2)cs1
InChIInChI=1S/C9H9N3O2S/c10-12-9-11-6(4-15-9)5-1-2-7(13)8(14)3-5/h1-4,13-14H,10H2,(H,11,12)
InChIKeyQXRBRUTXADCWTH-UHFFFAOYSA-N
XLogP1.51
TPSA91.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2-hydrazinyl-1,3-thiazol-4-yl)-2-methylphenol
CID 7172164
[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazine
CID 7174071
4-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]benzene-1,2-diol
CID 751856
4-[2-(4-methylanilino)-1,3-thiazol-4-yl]benzene-1,2-diol
CID 962878
[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazine
CID 7174047
4-[[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 2928782
4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]benzene-1,2-diol
CID 892965
[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazine;hydrochloride
CID 90481496
4-(2-hydrazinyl-1,3-thiazol-4-yl)benzoic acid
CID 7174481
2-cyano-N-[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 5100614
[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazine
CID 5211248
4-[2-(2-ethylanilino)-1,3-thiazol-4-yl]benzene-1,2-diol
CID 2177996

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydrazinyl-1,3-thiazol-4-yl)benzene-1,2-diol?
The IUPAC name of 4-(2-hydrazinyl-1,3-thiazol-4-yl)benzene-1,2-diol (CID 839872) is 4-(2-hydrazinyl-1,3-thiazol-4-yl)benzene-1,2-diol.
What is the SMILES notation for 4-(2-hydrazinyl-1,3-thiazol-4-yl)benzene-1,2-diol?
The canonical SMILES for 4-(2-hydrazinyl-1,3-thiazol-4-yl)benzene-1,2-diol is NNc1nc(-c2ccc(O)c(O)c2)cs1.
What is the InChIKey of 4-(2-hydrazinyl-1,3-thiazol-4-yl)benzene-1,2-diol?
The InChIKey is QXRBRUTXADCWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c10-12-9-11-6(4-15-9)5-1-2-7(13)8(14)3-5/h1-4,13-14H,10H2,(H,11,12).
What are the key properties of 4-(2-hydrazinyl-1,3-thiazol-4-yl)benzene-1,2-diol?
4-(2-hydrazinyl-1,3-thiazol-4-yl)benzene-1,2-diol has a molecular weight of 223.26 g/mol, XLogP of 1.51, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydrazinyl-1,3-thiazol-4-yl)benzene-1,2-diol is sourced from PubChem (CID 839872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).