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

C15H13N3OS — CID 118708820

IUPAC4-[[4-(4-aminophenyl)-1,3-thiazol-2-yl]amino]phenol
SMILESNc1ccc(-c2csc(Nc3ccc(O)cc3)n2)cc1
InChIInChI=1S/C15H13N3OS/c16-11-3-1-10(2-4-11)14-9-20-15(18-14)17-12-5-7-13(19)8-6-12/h1-9,19H,16H2,(H,17,18)
InChIKeyAZFDOSAYVBKDLW-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.84
Rot. Bonds3

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

4-[[4-(4-aminophenyl)-1,3-thiazol-2-yl]amino]phenol (PubChem CID 118708820) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 4-[[4-(4-aminophenyl)-1,3-thiazol-2-yl]amino]phenol.

Molecular Properties

Compound Name4-[[4-(4-aminophenyl)-1,3-thiazol-2-yl]amino]phenol
PubChem CID118708820
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name4-[[4-(4-aminophenyl)-1,3-thiazol-2-yl]amino]phenol
SMILESNc1ccc(-c2csc(Nc3ccc(O)cc3)n2)cc1
InChIInChI=1S/C15H13N3OS/c16-11-3-1-10(2-4-11)14-9-20-15(18-14)17-12-5-7-13(19)8-6-12/h1-9,19H,16H2,(H,17,18)
InChIKeyAZFDOSAYVBKDLW-UHFFFAOYSA-N
XLogP3.84
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[[4-(4-aminophenyl)-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

4-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 1075886
4-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,4-diamine bromide
CID 53346790
4-(4-aminophenyl)-N-(4-tert-butylphenyl)-1,3-thiazol-2-amine
CID 82028311
4-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 25101049
4-(4-aminophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-amine
CID 13155729
N,4-bis(4-fluorophenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2840600
4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenol
CID 2866860
N-(4-nitrophenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine;4-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,4-diamine
CID 158527700
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzamide
CID 46880290
N-(4-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2255838
N-(4-chlorophenyl)-4-(4-iodophenyl)-1,3-thiazol-2-amine
CID 2193688
4-[2-(4-methylanilino)-1,3-thiazol-4-yl]benzene-1,2-diol
CID 962878

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-aminophenyl)-1,3-thiazol-2-yl]amino]phenol?
The IUPAC name of 4-[[4-(4-aminophenyl)-1,3-thiazol-2-yl]amino]phenol (CID 118708820) is 4-[[4-(4-aminophenyl)-1,3-thiazol-2-yl]amino]phenol.
What is the SMILES notation for 4-[[4-(4-aminophenyl)-1,3-thiazol-2-yl]amino]phenol?
The canonical SMILES for 4-[[4-(4-aminophenyl)-1,3-thiazol-2-yl]amino]phenol is Nc1ccc(-c2csc(Nc3ccc(O)cc3)n2)cc1.
What is the InChIKey of 4-[[4-(4-aminophenyl)-1,3-thiazol-2-yl]amino]phenol?
The InChIKey is AZFDOSAYVBKDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c16-11-3-1-10(2-4-11)14-9-20-15(18-14)17-12-5-7-13(19)8-6-12/h1-9,19H,16H2,(H,17,18).
What are the key properties of 4-[[4-(4-aminophenyl)-1,3-thiazol-2-yl]amino]phenol?
4-[[4-(4-aminophenyl)-1,3-thiazol-2-yl]amino]phenol has a molecular weight of 283.36 g/mol, XLogP of 3.84, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-aminophenyl)-1,3-thiazol-2-yl]amino]phenol is sourced from PubChem (CID 118708820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).