4-[2-(3-hydroxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]benzene-1,2,3-triol

C16H14N2O4S — CID 56761334

IUPAC4-[2-(3-hydroxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]benzene-1,2,3-triol
SMILESCn1c(-c2ccc(O)c(O)c2O)cs/c1=N\c1cccc(O)c1
InChIInChI=1S/C16H14N2O4S/c1-18-12(11-5-6-13(20)15(22)14(11)21)8-23-16(18)17-9-3-2-4-10(19)7-9/h2-8,19-22H,1H3/b17-16-
InChIKeyWODMFHUDUVTPCG-MSUUIHNZSA-N
MW330.37 g/mol
LogP2.81
Rot. Bonds2

About 4-[2-(3-hydroxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]benzene-1,2,3-triol

4-[2-(3-hydroxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]benzene-1,2,3-triol (PubChem CID 56761334) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is 4-[2-(3-hydroxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]benzene-1,2,3-triol.

Molecular Properties

Compound Name4-[2-(3-hydroxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]benzene-1,2,3-triol
PubChem CID56761334
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Name4-[2-(3-hydroxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]benzene-1,2,3-triol
SMILESCn1c(-c2ccc(O)c(O)c2O)cs/c1=N\c1cccc(O)c1
InChIInChI=1S/C16H14N2O4S/c1-18-12(11-5-6-13(20)15(22)14(11)21)8-23-16(18)17-9-3-2-4-10(19)7-9/h2-8,19-22H,1H3/b17-16-
InChIKeyWODMFHUDUVTPCG-MSUUIHNZSA-N
XLogP2.81
TPSA98.21 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 4-[2-(3-hydroxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]benzene-1,2,3-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-hydroxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]benzene-1,2,3-triol?
The IUPAC name of 4-[2-(3-hydroxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]benzene-1,2,3-triol (CID 56761334) is 4-[2-(3-hydroxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]benzene-1,2,3-triol.
What is the SMILES notation for 4-[2-(3-hydroxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]benzene-1,2,3-triol?
The canonical SMILES for 4-[2-(3-hydroxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]benzene-1,2,3-triol is Cn1c(-c2ccc(O)c(O)c2O)cs/c1=N\c1cccc(O)c1.
What is the InChIKey of 4-[2-(3-hydroxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]benzene-1,2,3-triol?
The InChIKey is WODMFHUDUVTPCG-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-18-12(11-5-6-13(20)15(22)14(11)21)8-23-16(18)17-9-3-2-4-10(19)7-9/h2-8,19-22H,1H3/b17-16-.
What are the key properties of 4-[2-(3-hydroxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]benzene-1,2,3-triol?
4-[2-(3-hydroxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]benzene-1,2,3-triol has a molecular weight of 330.37 g/mol, XLogP of 2.81, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-hydroxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]benzene-1,2,3-triol is sourced from PubChem (CID 56761334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).