N-(4-chlorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine

C15H10ClN5S — CID 18874530

IUPACN-(4-chlorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
SMILESClc1ccc(Nc2nn3c(-c4ccccc4)nnc3s2)cc1
InChIInChI=1S/C15H10ClN5S/c16-11-6-8-12(9-7-11)17-14-20-21-13(18-19-15(21)22-14)10-4-2-1-3-5-10/h1-9H,(H,17,20)
InChIKeyAEAOZNFSKGPHRK-UHFFFAOYSA-N
MW327.80 g/mol
LogP4.25
Rot. Bonds3

About N-(4-chlorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine

N-(4-chlorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine (PubChem CID 18874530) has the molecular formula C15H10ClN5S and a molecular weight of 327.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
PubChem CID18874530
Molecular FormulaC15H10ClN5S
Molecular Weight327.80 g/mol
Exact Mass327.03
IUPAC NameN-(4-chlorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
SMILESClc1ccc(Nc2nn3c(-c4ccccc4)nnc3s2)cc1
InChIInChI=1S/C15H10ClN5S/c16-11-6-8-12(9-7-11)17-14-20-21-13(18-19-15(21)22-14)10-4-2-1-3-5-10/h1-9H,(H,17,20)
InChIKeyAEAOZNFSKGPHRK-UHFFFAOYSA-N
XLogP4.25
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.80
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-chlorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine 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-[3-(2-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylaniline
CID 662661
4-[3-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylaniline
CID 663169
3-benzyl-N-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 972644
N-(4-chlorophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 118712456
N-(4-bromophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 56971271
3-(2-chlorophenyl)-N-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 56971272
N-(4-bromophenyl)-3-(2-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 56971494
3-(3-chlorophenyl)-N-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 56971495
N-(4-bromophenyl)-3-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 56971496
N,3-bis(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 56971497
N-(4-bromophenyl)-3-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 56971498
4-[3-(2-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-diethylaniline
CID 1985570

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine?
The IUPAC name of N-(4-chlorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine (CID 18874530) is N-(4-chlorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine.
What is the SMILES notation for N-(4-chlorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine?
The canonical SMILES for N-(4-chlorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine is Clc1ccc(Nc2nn3c(-c4ccccc4)nnc3s2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine?
The InChIKey is AEAOZNFSKGPHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN5S/c16-11-6-8-12(9-7-11)17-14-20-21-13(18-19-15(21)22-14)10-4-2-1-3-5-10/h1-9H,(H,17,20).
What are the key properties of N-(4-chlorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine?
N-(4-chlorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine has a molecular weight of 327.80 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine is sourced from PubChem (CID 18874530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).