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

C17H16N2O2S — CID 118708821

IUPAC4-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]phenol
SMILESCCOc1ccc(-c2csc(Nc3ccc(O)cc3)n2)cc1
InChIInChI=1S/C17H16N2O2S/c1-2-21-15-9-3-12(4-10-15)16-11-22-17(19-16)18-13-5-7-14(20)8-6-13/h3-11,20H,2H2,1H3,(H,18,19)
InChIKeyKYRWMGUPTTZIJI-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.66
Rot. Bonds5

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

4-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]phenol (PubChem CID 118708821) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]phenol.

Molecular Properties

Compound Name4-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]phenol
PubChem CID118708821
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name4-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]phenol
SMILESCCOc1ccc(-c2csc(Nc3ccc(O)cc3)n2)cc1
InChIInChI=1S/C17H16N2O2S/c1-2-21-15-9-3-12(4-10-15)16-11-22-17(19-16)18-13-5-7-14(20)8-6-13/h3-11,20H,2H2,1H3,(H,18,19)
InChIKeyKYRWMGUPTTZIJI-UHFFFAOYSA-N
XLogP4.66
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.66
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-ethoxyphenyl)-1,3-thiazol-2-yl]amino]phenol?
The IUPAC name of 4-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]phenol (CID 118708821) is 4-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]phenol.
What is the SMILES notation for 4-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]phenol?
The canonical SMILES for 4-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]phenol is CCOc1ccc(-c2csc(Nc3ccc(O)cc3)n2)cc1.
What is the InChIKey of 4-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]phenol?
The InChIKey is KYRWMGUPTTZIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-2-21-15-9-3-12(4-10-15)16-11-22-17(19-16)18-13-5-7-14(20)8-6-13/h3-11,20H,2H2,1H3,(H,18,19).
What are the key properties of 4-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]phenol?
4-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]phenol has a molecular weight of 312.39 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]phenol is sourced from PubChem (CID 118708821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).