4-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]aniline

C14H12N4S — CID 19360655

IUPAC4-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]aniline
SMILESNc1ccc(-c2nnc(-c3ccc(N)cc3)s2)cc1
InChIInChI=1S/C14H12N4S/c15-11-5-1-9(2-6-11)13-17-18-14(19-13)10-3-7-12(16)8-4-10/h1-8H,15-16H2
InChIKeyZEJGMGVVOLRJKV-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.04
Rot. Bonds2

About 4-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]aniline

4-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]aniline (PubChem CID 19360655) has the molecular formula C14H12N4S and a molecular weight of 268.35 g/mol. Its IUPAC name is 4-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]aniline.

Molecular Properties

Compound Name4-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]aniline
PubChem CID19360655
Molecular FormulaC14H12N4S
Molecular Weight268.35 g/mol
Exact Mass268.08
IUPAC Name4-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]aniline
SMILESNc1ccc(-c2nnc(-c3ccc(N)cc3)s2)cc1
InChIInChI=1S/C14H12N4S/c15-11-5-1-9(2-6-11)13-17-18-14(19-13)10-3-7-12(16)8-4-10/h1-8H,15-16H2
InChIKeyZEJGMGVVOLRJKV-UHFFFAOYSA-N
XLogP3.04
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]aniline 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-aminophenyl)-1,3,4-thiadiazol-2-yl]aniline?
The IUPAC name of 4-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]aniline (CID 19360655) is 4-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]aniline.
What is the SMILES notation for 4-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]aniline?
The canonical SMILES for 4-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]aniline is Nc1ccc(-c2nnc(-c3ccc(N)cc3)s2)cc1.
What is the InChIKey of 4-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]aniline?
The InChIKey is ZEJGMGVVOLRJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4S/c15-11-5-1-9(2-6-11)13-17-18-14(19-13)10-3-7-12(16)8-4-10/h1-8H,15-16H2.
What are the key properties of 4-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]aniline?
4-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]aniline has a molecular weight of 268.35 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]aniline is sourced from PubChem (CID 19360655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).