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

C15H9Cl2N5S — CID 56971497

IUPACN,3-bis(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
SMILESClc1ccc(Nc2nn3c(-c4ccc(Cl)cc4)nnc3s2)cc1
InChIInChI=1S/C15H9Cl2N5S/c16-10-3-1-9(2-4-10)13-19-20-15-22(13)21-14(23-15)18-12-7-5-11(17)6-8-12/h1-8H,(H,18,21)
InChIKeyWGPUESXDFMWQFV-UHFFFAOYSA-N
MW362.25 g/mol
LogP4.90
Rot. Bonds3

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

N,3-bis(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine (PubChem CID 56971497) has the molecular formula C15H9Cl2N5S and a molecular weight of 362.25 g/mol. Its IUPAC name is N,3-bis(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine.

Molecular Properties

Compound NameN,3-bis(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
PubChem CID56971497
Molecular FormulaC15H9Cl2N5S
Molecular Weight362.25 g/mol
Exact Mass361.00
IUPAC NameN,3-bis(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
SMILESClc1ccc(Nc2nn3c(-c4ccc(Cl)cc4)nnc3s2)cc1
InChIInChI=1S/C15H9Cl2N5S/c16-10-3-1-9(2-4-10)13-19-20-15-22(13)21-14(23-15)18-12-7-5-11(17)6-8-12/h1-8H,(H,18,21)
InChIKeyWGPUESXDFMWQFV-UHFFFAOYSA-N
XLogP4.90
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.25
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,3-bis(4-chlorophenyl)-[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
4-(3-(2,4-Dichlorophenyl)-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazol-6-yl)-N,N-dimethylbenzenamine
CID 663607
3-benzyl-N-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 972644
1H-1,2,4-Triazole, 1,5-bis(4-chlorophenyl)-3-(methylthio)-
CID 3063088
N-(4-chlorophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 118712456
N-(4-chlorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 18874530
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

Frequently Asked Questions

What is the IUPAC name of N,3-bis(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine?
The IUPAC name of N,3-bis(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine (CID 56971497) is N,3-bis(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine.
What is the SMILES notation for N,3-bis(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine?
The canonical SMILES for N,3-bis(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine is Clc1ccc(Nc2nn3c(-c4ccc(Cl)cc4)nnc3s2)cc1.
What is the InChIKey of N,3-bis(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine?
The InChIKey is WGPUESXDFMWQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N5S/c16-10-3-1-9(2-4-10)13-19-20-15-22(13)21-14(23-15)18-12-7-5-11(17)6-8-12/h1-8H,(H,18,21).
What are the key properties of N,3-bis(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine?
N,3-bis(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine has a molecular weight of 362.25 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-bis(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine is sourced from PubChem (CID 56971497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).