2,6-dichloro-4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol

C15H9Cl3N2OS — CID 25100731

IUPAC2,6-dichloro-4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol
SMILESOc1c(Cl)cc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1Cl
InChIInChI=1S/C15H9Cl3N2OS/c16-9-3-1-8(2-4-9)13-7-22-15(20-13)19-10-5-11(17)14(21)12(18)6-10/h1-7,21H,(H,19,20)
InChIKeyUJKLVGSDHORJRP-UHFFFAOYSA-N
MW371.68 g/mol
LogP6.22
Rot. Bonds3

About 2,6-dichloro-4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol

2,6-dichloro-4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol (PubChem CID 25100731) has the molecular formula C15H9Cl3N2OS and a molecular weight of 371.68 g/mol. Its IUPAC name is 2,6-dichloro-4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol.

Molecular Properties

Compound Name2,6-dichloro-4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol
PubChem CID25100731
Molecular FormulaC15H9Cl3N2OS
Molecular Weight371.68 g/mol
Exact Mass369.95
IUPAC Name2,6-dichloro-4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol
SMILESOc1c(Cl)cc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1Cl
InChIInChI=1S/C15H9Cl3N2OS/c16-9-3-1-8(2-4-9)13-7-22-15(20-13)19-10-5-11(17)14(21)12(18)6-10/h1-7,21H,(H,19,20)
InChIKeyUJKLVGSDHORJRP-UHFFFAOYSA-N
XLogP6.22
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.68
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,6-dichloro-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 2,6-dichloro-4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol?
The IUPAC name of 2,6-dichloro-4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol (CID 25100731) is 2,6-dichloro-4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol.
What is the SMILES notation for 2,6-dichloro-4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol?
The canonical SMILES for 2,6-dichloro-4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol is Oc1c(Cl)cc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol?
The InChIKey is UJKLVGSDHORJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl3N2OS/c16-9-3-1-8(2-4-9)13-7-22-15(20-13)19-10-5-11(17)14(21)12(18)6-10/h1-7,21H,(H,19,20).
What are the key properties of 2,6-dichloro-4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol?
2,6-dichloro-4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol has a molecular weight of 371.68 g/mol, XLogP of 6.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol is sourced from PubChem (CID 25100731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).