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

C11H12N2O2S — CID 136889178

IUPAC4-[4-(1-aminoethyl)-1,3-thiazol-2-yl]benzene-1,2-diol
SMILESCC(N)c1csc(-c2ccc(O)c(O)c2)n1
InChIInChI=1S/C11H12N2O2S/c1-6(12)8-5-16-11(13-8)7-2-3-9(14)10(15)4-7/h2-6,14-15H,12H2,1H3
InChIKeyMQWXIVSENUHPSX-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.24
Rot. Bonds2

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

4-[4-(1-aminoethyl)-1,3-thiazol-2-yl]benzene-1,2-diol (PubChem CID 136889178) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 4-[4-(1-aminoethyl)-1,3-thiazol-2-yl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[4-(1-aminoethyl)-1,3-thiazol-2-yl]benzene-1,2-diol
PubChem CID136889178
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name4-[4-(1-aminoethyl)-1,3-thiazol-2-yl]benzene-1,2-diol
SMILESCC(N)c1csc(-c2ccc(O)c(O)c2)n1
InChIInChI=1S/C11H12N2O2S/c1-6(12)8-5-16-11(13-8)7-2-3-9(14)10(15)4-7/h2-6,14-15H,12H2,1H3
InChIKeyMQWXIVSENUHPSX-UHFFFAOYSA-N
XLogP2.24
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.24
H-Bond Donors ≤ 53
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-(1-aminoethyl)-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

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-aminoethyl)-1,3-thiazol-2-yl]benzene-1,2-diol?
The IUPAC name of 4-[4-(1-aminoethyl)-1,3-thiazol-2-yl]benzene-1,2-diol (CID 136889178) is 4-[4-(1-aminoethyl)-1,3-thiazol-2-yl]benzene-1,2-diol.
What is the SMILES notation for 4-[4-(1-aminoethyl)-1,3-thiazol-2-yl]benzene-1,2-diol?
The canonical SMILES for 4-[4-(1-aminoethyl)-1,3-thiazol-2-yl]benzene-1,2-diol is CC(N)c1csc(-c2ccc(O)c(O)c2)n1.
What is the InChIKey of 4-[4-(1-aminoethyl)-1,3-thiazol-2-yl]benzene-1,2-diol?
The InChIKey is MQWXIVSENUHPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-6(12)8-5-16-11(13-8)7-2-3-9(14)10(15)4-7/h2-6,14-15H,12H2,1H3.
What are the key properties of 4-[4-(1-aminoethyl)-1,3-thiazol-2-yl]benzene-1,2-diol?
4-[4-(1-aminoethyl)-1,3-thiazol-2-yl]benzene-1,2-diol has a molecular weight of 236.30 g/mol, XLogP of 2.24, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-aminoethyl)-1,3-thiazol-2-yl]benzene-1,2-diol is sourced from PubChem (CID 136889178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).