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

C16H14N2O2S — CID 25100440

IUPAC4-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol
SMILESCOc1ccccc1-c1csc(Nc2ccc(O)cc2)n1
InChIInChI=1S/C16H14N2O2S/c1-20-15-5-3-2-4-13(15)14-10-21-16(18-14)17-11-6-8-12(19)9-7-11/h2-10,19H,1H3,(H,17,18)
InChIKeyCNRZTWUAXBOESR-UHFFFAOYSA-N
MW298.37 g/mol
LogP4.27
Rot. Bonds4

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

4-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol (PubChem CID 25100440) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 4-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol.

Molecular Properties

Compound Name4-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol
PubChem CID25100440
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name4-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol
SMILESCOc1ccccc1-c1csc(Nc2ccc(O)cc2)n1
InChIInChI=1S/C16H14N2O2S/c1-20-15-5-3-2-4-13(15)14-10-21-16(18-14)17-11-6-8-12(19)9-7-11/h2-10,19H,1H3,(H,17,18)
InChIKeyCNRZTWUAXBOESR-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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Related Compounds

4-((4-(4-Chlorophenyl)-2-thiazolyl)amino)phenol
CID 753704
4-(2-Methoxy-phenyl)-thiazol-2-ylamine
CID 735252
4-(Methyl(4-phenylthiazol-2-yl)amino)phenol
CID 649391
4-[(4-Phenyl-1,3-thiazol-2-yl)amino]phenol
CID 697280
4-{[4-(2,4-Difluorophenyl)-1,3-thiazol-2-yl]amino}phenol
CID 779213
4-{[4-(4-Bromophenyl)-1,3-thiazol-2-yl]amino}phenol
CID 877529
4-{[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]amino}phenol
CID 972868
4-{[4-(4-Nitrophenyl)-1,3-thiazol-2-yl]amino}phenol
CID 16645659
4-{[4-(2-Methoxyphenyl)-1,3-thiazol-2-yl]amino}benzoic acid
CID 24776309
4-(4-(2-Fluorophenyl)thiazol-2-ylamino)phenol
CID 25100438
N-aryl-4-aryl-1,3-thiazole-2-amine, 8
CID 25100439
N-aryl-4-aryl-1,3-thiazole-2-amine, 14
CID 25100732

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol?
The IUPAC name of 4-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol (CID 25100440) is 4-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol.
What is the SMILES notation for 4-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol?
The canonical SMILES for 4-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol is COc1ccccc1-c1csc(Nc2ccc(O)cc2)n1.
What is the InChIKey of 4-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol?
The InChIKey is CNRZTWUAXBOESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-20-15-5-3-2-4-13(15)14-10-21-16(18-14)17-11-6-8-12(19)9-7-11/h2-10,19H,1H3,(H,17,18).
What are the key properties of 4-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol?
4-[[4-(2-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-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol is sourced from PubChem (CID 25100440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).