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

C15H12N2O2S — CID 3324368

IUPAC3-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]phenol
SMILESOc1ccc(-c2csc(Nc3cccc(O)c3)n2)cc1
InChIInChI=1S/C15H12N2O2S/c18-12-6-4-10(5-7-12)14-9-20-15(17-14)16-11-2-1-3-13(19)8-11/h1-9,18-19H,(H,16,17)
InChIKeySAFZMMTWTRFRQE-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.96
Rot. Bonds3

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

3-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]phenol (PubChem CID 3324368) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 3-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]phenol.

Molecular Properties

Compound Name3-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]phenol
PubChem CID3324368
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name3-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]phenol
SMILESOc1ccc(-c2csc(Nc3cccc(O)c3)n2)cc1
InChIInChI=1S/C15H12N2O2S/c18-12-6-4-10(5-7-12)14-9-20-15(17-14)16-11-2-1-3-13(19)8-11/h1-9,18-19H,(H,16,17)
InChIKeySAFZMMTWTRFRQE-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

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]phenol?
The IUPAC name of 3-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]phenol (CID 3324368) is 3-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]phenol.
What is the SMILES notation for 3-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]phenol?
The canonical SMILES for 3-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]phenol is Oc1ccc(-c2csc(Nc3cccc(O)c3)n2)cc1.
What is the InChIKey of 3-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]phenol?
The InChIKey is SAFZMMTWTRFRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c18-12-6-4-10(5-7-12)14-9-20-15(17-14)16-11-2-1-3-13(19)8-11/h1-9,18-19H,(H,16,17).
What are the key properties of 3-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]phenol?
3-[[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 3-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]phenol is sourced from PubChem (CID 3324368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).