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

C16H14N2O2S — CID 768029

IUPAC3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol
SMILESCOc1ccc(-c2csc(Nc3cccc(O)c3)n2)cc1
InChIInChI=1S/C16H14N2O2S/c1-20-14-7-5-11(6-8-14)15-10-21-16(18-15)17-12-3-2-4-13(19)9-12/h2-10,19H,1H3,(H,17,18)
InChIKeyKLFVEXXPHHTRON-UHFFFAOYSA-N
MW298.37 g/mol
LogP4.27
Rot. Bonds4

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

3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol (PubChem CID 768029) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol.

Molecular Properties

Compound Name3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol
PubChem CID768029
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol
SMILESCOc1ccc(-c2csc(Nc3cccc(O)c3)n2)cc1
InChIInChI=1S/C16H14N2O2S/c1-20-14-7-5-11(6-8-14)15-10-21-16(18-15)17-12-3-2-4-13(19)9-12/h2-10,19H,1H3,(H,17,18)
InChIKeyKLFVEXXPHHTRON-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol
CID 877802
N-[3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565354
3-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]phenol
CID 873220
4-methoxy-N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 5178891
N-(3-methoxyphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
CID 58910966
4-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 4093037
N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3265729
N-[[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 9343570
N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-2-phenylacetamide
CID 5037390
4-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2877323
4-(4-iodophenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 560642
4-(4-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)-1,3-thiazol-2-amine
CID 124927933

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol?
The IUPAC name of 3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol (CID 768029) is 3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol.
What is the SMILES notation for 3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol?
The canonical SMILES for 3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol is COc1ccc(-c2csc(Nc3cccc(O)c3)n2)cc1.
What is the InChIKey of 3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol?
The InChIKey is KLFVEXXPHHTRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-20-14-7-5-11(6-8-14)15-10-21-16(18-15)17-12-3-2-4-13(19)9-12/h2-10,19H,1H3,(H,17,18).
What are the key properties of 3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol?
3-[[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 3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol is sourced from PubChem (CID 768029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).