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

C15H11ClN2OS — CID 753704

IUPAC4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol
SMILESOc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C15H11ClN2OS/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,(H,17,18)
InChIKeyZFGXZJKLOFCECI-UHFFFAOYSA-N
MW302.79 g/mol
LogP4.91
Rot. Bonds3

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

4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol (PubChem CID 753704) has the molecular formula C15H11ClN2OS and a molecular weight of 302.79 g/mol. Its IUPAC name is 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol.

Molecular Properties

Compound Name4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol
PubChem CID753704
Molecular FormulaC15H11ClN2OS
Molecular Weight302.79 g/mol
Exact Mass302.03
IUPAC Name4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol
SMILESOc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C15H11ClN2OS/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,(H,17,18)
InChIKeyZFGXZJKLOFCECI-UHFFFAOYSA-N
XLogP4.91
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[[4-(4-chlorophenyl)-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

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol?
The IUPAC name of 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol (CID 753704) is 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol.
What is the SMILES notation for 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol?
The canonical SMILES for 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol is Oc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1.
What is the InChIKey of 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol?
The InChIKey is ZFGXZJKLOFCECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2OS/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,(H,17,18).
What are the key properties of 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol?
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol has a molecular weight of 302.79 g/mol, XLogP of 4.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol is sourced from PubChem (CID 753704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).