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

C16H13NO3S — CID 170172156

IUPAC4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,2-diol
SMILESCOc1ccc(-c2csc(-c3ccc(O)c(O)c3)n2)cc1
InChIInChI=1S/C16H13NO3S/c1-20-12-5-2-10(3-6-12)13-9-21-16(17-13)11-4-7-14(18)15(19)8-11/h2-9,18-19H,1H3
InChIKeyWZFWEIUVNKDOJF-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.90
Rot. Bonds3

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

4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,2-diol (PubChem CID 170172156) has the molecular formula C16H13NO3S and a molecular weight of 299.35 g/mol. Its IUPAC name is 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,2-diol
PubChem CID170172156
Molecular FormulaC16H13NO3S
Molecular Weight299.35 g/mol
Exact Mass299.06
IUPAC Name4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,2-diol
SMILESCOc1ccc(-c2csc(-c3ccc(O)c(O)c3)n2)cc1
InChIInChI=1S/C16H13NO3S/c1-20-12-5-2-10(3-6-12)13-9-21-16(17-13)11-4-7-14(18)15(19)8-11/h2-9,18-19H,1H3
InChIKeyWZFWEIUVNKDOJF-UHFFFAOYSA-N
XLogP3.90
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,2-diol with MolForge

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

Launch Full Analysis

Related Compounds

4-(4-phenyl-1,3-thiazol-2-yl)benzene-1,2-diol
CID 169215045
4-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]benzene-1,2-diol
CID 18707352
2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide
CID 171114672
methyl 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzoate
CID 18613878
2-amino-4-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]phenol;dihydrochloride
CID 18707378
N,N-diethyl-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyridin-2-amine
CID 103597410
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-5-(trifluoromethyl)phenol
CID 146186096
2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole
CID 1147052
[4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl] acetate
CID 137047911
4-[2-(furan-2-yl)-1,3-thiazol-4-yl]benzene-1,2-diol
CID 25468910
3,5-dimethoxy-2-(4-phenyl-1,3-thiazol-2-yl)phenol
CID 136785678
4-(4-methoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazole
CID 103597491

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,2-diol?
The IUPAC name of 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,2-diol (CID 170172156) is 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,2-diol.
What is the SMILES notation for 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,2-diol?
The canonical SMILES for 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,2-diol is COc1ccc(-c2csc(-c3ccc(O)c(O)c3)n2)cc1.
What is the InChIKey of 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,2-diol?
The InChIKey is WZFWEIUVNKDOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3S/c1-20-12-5-2-10(3-6-12)13-9-21-16(17-13)11-4-7-14(18)15(19)8-11/h2-9,18-19H,1H3.
What are the key properties of 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,2-diol?
4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,2-diol has a molecular weight of 299.35 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,2-diol is sourced from PubChem (CID 170172156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).