4-[[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]amino]phenol

C14H10ClN3OS — CID 118611402

IUPAC4-[[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]amino]phenol
SMILESOc1ccc(Nc2nsc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C14H10ClN3OS/c15-10-3-1-9(2-4-10)13-17-14(18-20-13)16-11-5-7-12(19)8-6-11/h1-8,19H,(H,16,18)
InChIKeyMLOJMIVJISPEDR-UHFFFAOYSA-N
MW303.77 g/mol
LogP4.31
Rot. Bonds3

About 4-[[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]amino]phenol

4-[[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]amino]phenol (PubChem CID 118611402) has the molecular formula C14H10ClN3OS and a molecular weight of 303.77 g/mol. Its IUPAC name is 4-[[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]amino]phenol.

Molecular Properties

Compound Name4-[[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]amino]phenol
PubChem CID118611402
Molecular FormulaC14H10ClN3OS
Molecular Weight303.77 g/mol
Exact Mass303.02
IUPAC Name4-[[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]amino]phenol
SMILESOc1ccc(Nc2nsc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C14H10ClN3OS/c15-10-3-1-9(2-4-10)13-17-14(18-20-13)16-11-5-7-12(19)8-6-11/h1-8,19H,(H,16,18)
InChIKeyMLOJMIVJISPEDR-UHFFFAOYSA-N
XLogP4.31
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-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-[[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]amino]phenol?
The IUPAC name of 4-[[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]amino]phenol (CID 118611402) is 4-[[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]amino]phenol.
What is the SMILES notation for 4-[[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]amino]phenol?
The canonical SMILES for 4-[[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]amino]phenol is Oc1ccc(Nc2nsc(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 4-[[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]amino]phenol?
The InChIKey is MLOJMIVJISPEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3OS/c15-10-3-1-9(2-4-10)13-17-14(18-20-13)16-11-5-7-12(19)8-6-11/h1-8,19H,(H,16,18).
What are the key properties of 4-[[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]amino]phenol?
4-[[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]amino]phenol has a molecular weight of 303.77 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]amino]phenol is sourced from PubChem (CID 118611402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).