2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiophen-3-amine

C8H7N5S2 — CID 114352094

IUPAC2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiophen-3-amine
SMILESCc1nnc2sc(-c3sccc3N)nn12
InChIInChI=1S/C8H7N5S2/c1-4-10-11-8-13(4)12-7(15-8)6-5(9)2-3-14-6/h2-3H,9H2,1H3
InChIKeyWXTTZGQTGBALFL-UHFFFAOYSA-N
MW237.31 g/mol
LogP1.80
Rot. Bonds1

About 2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiophen-3-amine

2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiophen-3-amine (PubChem CID 114352094) has the molecular formula C8H7N5S2 and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiophen-3-amine.

Molecular Properties

Compound Name2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiophen-3-amine
PubChem CID114352094
Molecular FormulaC8H7N5S2
Molecular Weight237.31 g/mol
Exact Mass237.01
IUPAC Name2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiophen-3-amine
SMILESCc1nnc2sc(-c3sccc3N)nn12
InChIInChI=1S/C8H7N5S2/c1-4-10-11-8-13(4)12-7(15-8)6-5(9)2-3-14-6/h2-3H,9H2,1H3
InChIKeyWXTTZGQTGBALFL-UHFFFAOYSA-N
XLogP1.80
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiophen-3-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

2-fluoro-6-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
CID 114352034
6-(3,5-dimethylphenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 95910490
6-(2,3-difluorophenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 45490183
2-[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]ethanamine
CID 82484133
3-methyl-6-(2,3,4,5,6-pentafluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 91678546
2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-(trifluoromethyl)aniline
CID 114351996
6-(2-fluorophenyl)-3-(3-methylthiophen-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 42581251
2-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]ethanamine
CID 114352052
(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine
CID 28812162
4-methyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]thiophen-3-amine
CID 114915776
2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)thiophen-3-amine
CID 61376066
3-(1-methyl-3-propan-2-ylpyrazol-5-yl)-6-(3-methylthiophen-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 71700879

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiophen-3-amine?
The IUPAC name of 2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiophen-3-amine (CID 114352094) is 2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiophen-3-amine.
What is the SMILES notation for 2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiophen-3-amine?
The canonical SMILES for 2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiophen-3-amine is Cc1nnc2sc(-c3sccc3N)nn12.
What is the InChIKey of 2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiophen-3-amine?
The InChIKey is WXTTZGQTGBALFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5S2/c1-4-10-11-8-13(4)12-7(15-8)6-5(9)2-3-14-6/h2-3H,9H2,1H3.
What are the key properties of 2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiophen-3-amine?
2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiophen-3-amine has a molecular weight of 237.31 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiophen-3-amine is sourced from PubChem (CID 114352094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).