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

C14H11N3O2S — CID 751906

IUPAC4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]benzene-1,3-diol
SMILESOc1ccc(-c2csc(Nc3ccccn3)n2)c(O)c1
InChIInChI=1S/C14H11N3O2S/c18-9-4-5-10(12(19)7-9)11-8-20-14(16-11)17-13-3-1-2-6-15-13/h1-8,18-19H,(H,15,16,17)
InChIKeySUZVYWLDXDAKRD-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.36
Rot. Bonds3

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

4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]benzene-1,3-diol (PubChem CID 751906) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]benzene-1,3-diol
PubChem CID751906
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]benzene-1,3-diol
SMILESOc1ccc(-c2csc(Nc3ccccn3)n2)c(O)c1
InChIInChI=1S/C14H11N3O2S/c18-9-4-5-10(12(19)7-9)11-8-20-14(16-11)17-13-3-1-2-6-15-13/h1-8,18-19H,(H,15,16,17)
InChIKeySUZVYWLDXDAKRD-UHFFFAOYSA-N
XLogP3.36
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]benzene-1,3-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-(pyridin-2-ylamino)-1,3-thiazol-4-yl]benzene-1,3-diol?
The IUPAC name of 4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]benzene-1,3-diol (CID 751906) is 4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]benzene-1,3-diol?
The canonical SMILES for 4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]benzene-1,3-diol is Oc1ccc(-c2csc(Nc3ccccn3)n2)c(O)c1.
What is the InChIKey of 4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]benzene-1,3-diol?
The InChIKey is SUZVYWLDXDAKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c18-9-4-5-10(12(19)7-9)11-8-20-14(16-11)17-13-3-1-2-6-15-13/h1-8,18-19H,(H,15,16,17).
What are the key properties of 4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]benzene-1,3-diol?
4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]benzene-1,3-diol has a molecular weight of 285.33 g/mol, XLogP of 3.36, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]benzene-1,3-diol is sourced from PubChem (CID 751906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).