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

C11H11N3O2S — CID 4642843

IUPAC4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
SMILESCc1csc(NN=Cc2ccc(O)c(O)c2)n1
InChIInChI=1S/C11H11N3O2S/c1-7-6-17-11(13-7)14-12-5-8-2-3-9(15)10(16)4-8/h2-6,15-16H,1H3,(H,13,14)
InChIKeyPEFPWSWSPXYUPB-UHFFFAOYSA-N
MW249.30 g/mol
LogP2.31
Rot. Bonds3

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

4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol (PubChem CID 4642843) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
PubChem CID4642843
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
SMILESCc1csc(NN=Cc2ccc(O)c(O)c2)n1
InChIInChI=1S/C11H11N3O2S/c1-7-6-17-11(13-7)14-12-5-8-2-3-9(15)10(16)4-8/h2-6,15-16H,1H3,(H,13,14)
InChIKeyPEFPWSWSPXYUPB-UHFFFAOYSA-N
XLogP2.31
TPSA77.74 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 ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-[(Z)-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 136822257
2-hydroxy-5-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzamide
CID 168619127
4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-(trifluoromethoxy)phenol
CID 168619251
4-[(Z)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzene-1,2-diol
CID 135714039
4-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzene-1,2-diol
CID 135608314
4-[[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzene-1,2-diol
CID 4873244
4-methyl-N-[(E)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-amine;hydrochloride
CID 54602728
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylideneamino)-4-methyl-1,3-thiazol-2-amine
CID 168618421
4-methyl-N-[(2-methylindazol-6-yl)methylideneamino]-1,3-thiazol-2-amine
CID 168619047
N-[(4-fluoro-3,5-dimethylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618351
4-methyl-N-[(4-methylsulfonylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 168600655
4-methyl-N-[[3-(trifluoromethyl)-1-benzothiophen-5-yl]methylideneamino]-1,3-thiazol-2-amine
CID 168619215

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol?
The IUPAC name of 4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol (CID 4642843) is 4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol.
What is the SMILES notation for 4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol?
The canonical SMILES for 4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol is Cc1csc(NN=Cc2ccc(O)c(O)c2)n1.
What is the InChIKey of 4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol?
The InChIKey is PEFPWSWSPXYUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-7-6-17-11(13-7)14-12-5-8-2-3-9(15)10(16)4-8/h2-6,15-16H,1H3,(H,13,14).
What are the key properties of 4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol?
4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol has a molecular weight of 249.30 g/mol, XLogP of 2.31, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol is sourced from PubChem (CID 4642843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).