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

C10H9NO2S — CID 849783

IUPAC4-(2-methyl-1,3-thiazol-4-yl)benzene-1,2-diol
SMILESCc1nc(-c2ccc(O)c(O)c2)cs1
InChIInChI=1S/C10H9NO2S/c1-6-11-8(5-14-6)7-2-3-9(12)10(13)4-7/h2-5,12-13H,1H3
InChIKeyNAJCJNKRIQETEO-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.53
Rot. Bonds1

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

4-(2-methyl-1,3-thiazol-4-yl)benzene-1,2-diol (PubChem CID 849783) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is 4-(2-methyl-1,3-thiazol-4-yl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(2-methyl-1,3-thiazol-4-yl)benzene-1,2-diol
PubChem CID849783
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Name4-(2-methyl-1,3-thiazol-4-yl)benzene-1,2-diol
SMILESCc1nc(-c2ccc(O)c(O)c2)cs1
InChIInChI=1S/C10H9NO2S/c1-6-11-8(5-14-6)7-2-3-9(12)10(13)4-7/h2-5,12-13H,1H3
InChIKeyNAJCJNKRIQETEO-UHFFFAOYSA-N
XLogP2.53
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2-methyl-1,3-thiazol-4-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

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-thiazol-4-yl)benzene-1,2-diol?
The IUPAC name of 4-(2-methyl-1,3-thiazol-4-yl)benzene-1,2-diol (CID 849783) is 4-(2-methyl-1,3-thiazol-4-yl)benzene-1,2-diol.
What is the SMILES notation for 4-(2-methyl-1,3-thiazol-4-yl)benzene-1,2-diol?
The canonical SMILES for 4-(2-methyl-1,3-thiazol-4-yl)benzene-1,2-diol is Cc1nc(-c2ccc(O)c(O)c2)cs1.
What is the InChIKey of 4-(2-methyl-1,3-thiazol-4-yl)benzene-1,2-diol?
The InChIKey is NAJCJNKRIQETEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c1-6-11-8(5-14-6)7-2-3-9(12)10(13)4-7/h2-5,12-13H,1H3.
What are the key properties of 4-(2-methyl-1,3-thiazol-4-yl)benzene-1,2-diol?
4-(2-methyl-1,3-thiazol-4-yl)benzene-1,2-diol has a molecular weight of 207.25 g/mol, XLogP of 2.53, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-thiazol-4-yl)benzene-1,2-diol is sourced from PubChem (CID 849783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).