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

C16H14N2O2S — CID 768027

IUPAC4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol
SMILESCOc1ccc(-c2csc(Nc3ccc(O)cc3)n2)cc1
InChIInChI=1S/C16H14N2O2S/c1-20-14-8-2-11(3-9-14)15-10-21-16(18-15)17-12-4-6-13(19)7-5-12/h2-10,19H,1H3,(H,17,18)
InChIKeyNLYPBWUXDFDDBB-UHFFFAOYSA-N
MW298.37 g/mol
LogP4.27
Rot. Bonds4

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

4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol (PubChem CID 768027) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol.

Molecular Properties

Compound Name4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol
PubChem CID768027
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol
SMILESCOc1ccc(-c2csc(Nc3ccc(O)cc3)n2)cc1
InChIInChI=1S/C16H14N2O2S/c1-20-14-8-2-11(3-9-14)15-10-21-16(18-15)17-12-4-6-13(19)7-5-12/h2-10,19H,1H3,(H,17,18)
InChIKeyNLYPBWUXDFDDBB-UHFFFAOYSA-N
XLogP4.27
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol?
The IUPAC name of 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol (CID 768027) is 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol.
What is the SMILES notation for 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol?
The canonical SMILES for 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol is COc1ccc(-c2csc(Nc3ccc(O)cc3)n2)cc1.
What is the InChIKey of 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol?
The InChIKey is NLYPBWUXDFDDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-20-14-8-2-11(3-9-14)15-10-21-16(18-15)17-12-4-6-13(19)7-5-12/h2-10,19H,1H3,(H,17,18).
What are the key properties of 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol?
4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol has a molecular weight of 298.37 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol is sourced from PubChem (CID 768027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).