2-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]phenol

C15H12N2O2S — CID 45270433

IUPAC2-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]phenol
SMILESOc1ccc(-c2csc(Nc3ccccc3O)n2)cc1
InChIInChI=1S/C15H12N2O2S/c18-11-7-5-10(6-8-11)13-9-20-15(17-13)16-12-3-1-2-4-14(12)19/h1-9,18-19H,(H,16,17)
InChIKeyHXSHJTRADFDFMA-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.96
Rot. Bonds3

About 2-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]phenol

2-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]phenol (PubChem CID 45270433) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]phenol.

Molecular Properties

Compound Name2-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]phenol
PubChem CID45270433
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name2-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]phenol
SMILESOc1ccc(-c2csc(Nc3ccccc3O)n2)cc1
InChIInChI=1S/C15H12N2O2S/c18-11-7-5-10(6-8-11)13-9-20-15(17-13)16-12-3-1-2-4-14(12)19/h1-9,18-19H,(H,16,17)
InChIKeyHXSHJTRADFDFMA-UHFFFAOYSA-N
XLogP3.96
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]phenol?
The IUPAC name of 2-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]phenol (CID 45270433) is 2-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]phenol.
What is the SMILES notation for 2-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]phenol?
The canonical SMILES for 2-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]phenol is Oc1ccc(-c2csc(Nc3ccccc3O)n2)cc1.
What is the InChIKey of 2-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]phenol?
The InChIKey is HXSHJTRADFDFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c18-11-7-5-10(6-8-11)13-9-20-15(17-13)16-12-3-1-2-4-14(12)19/h1-9,18-19H,(H,16,17).
What are the key properties of 2-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]phenol?
2-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]phenol has a molecular weight of 284.34 g/mol, XLogP of 3.96, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]phenol is sourced from PubChem (CID 45270433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).