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

C15H10ClN5S — CID 972791

IUPAC3-(2-chlorophenyl)-N-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
SMILESClc1ccccc1-c1nnc2sc(Nc3ccccc3)nn12
InChIInChI=1S/C15H10ClN5S/c16-12-9-5-4-8-11(12)13-18-19-15-21(13)20-14(22-15)17-10-6-2-1-3-7-10/h1-9H,(H,17,20)
InChIKeyQPDFFXVWNLFZRH-UHFFFAOYSA-N
MW327.80 g/mol
LogP4.25
Rot. Bonds3

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

3-(2-chlorophenyl)-N-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine (PubChem CID 972791) has the molecular formula C15H10ClN5S and a molecular weight of 327.80 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
PubChem CID972791
Molecular FormulaC15H10ClN5S
Molecular Weight327.80 g/mol
Exact Mass327.03
IUPAC Name3-(2-chlorophenyl)-N-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
SMILESClc1ccccc1-c1nnc2sc(Nc3ccccc3)nn12
InChIInChI=1S/C15H10ClN5S/c16-12-9-5-4-8-11(12)13-18-19-15-21(13)20-14(22-15)17-10-6-2-1-3-7-10/h1-9H,(H,17,20)
InChIKeyQPDFFXVWNLFZRH-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

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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
(2-Chloro-6-fluorobenzyl)[2-methyl-5-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]amine
CID 1974879
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 3-(2-chlorophenyl)-N-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine?
The IUPAC name of 3-(2-chlorophenyl)-N-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine (CID 972791) is 3-(2-chlorophenyl)-N-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine.
What is the SMILES notation for 3-(2-chlorophenyl)-N-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine?
The canonical SMILES for 3-(2-chlorophenyl)-N-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine is Clc1ccccc1-c1nnc2sc(Nc3ccccc3)nn12.
What is the InChIKey of 3-(2-chlorophenyl)-N-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine?
The InChIKey is QPDFFXVWNLFZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN5S/c16-12-9-5-4-8-11(12)13-18-19-15-21(13)20-14(22-15)17-10-6-2-1-3-7-10/h1-9H,(H,17,20).
What are the key properties of 3-(2-chlorophenyl)-N-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine?
3-(2-chlorophenyl)-N-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 3-(2-chlorophenyl)-N-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine is sourced from PubChem (CID 972791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).