2-methyl-N-[2-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]propan-2-amine

C15H19N5S — CID 114353197

IUPAC2-methyl-N-[2-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]propan-2-amine
SMILESCC(C)(C)NCCc1nn2c(-c3ccccc3)nnc2s1
InChIInChI=1S/C15H19N5S/c1-15(2,3)16-10-9-12-19-20-13(17-18-14(20)21-12)11-7-5-4-6-8-11/h4-8,16H,9-10H2,1-3H3
InChIKeyFJIBTNAUMOFCFE-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.78
Rot. Bonds4

About 2-methyl-N-[2-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]propan-2-amine

2-methyl-N-[2-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]propan-2-amine (PubChem CID 114353197) has the molecular formula C15H19N5S and a molecular weight of 301.42 g/mol. Its IUPAC name is 2-methyl-N-[2-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]propan-2-amine
PubChem CID114353197
Molecular FormulaC15H19N5S
Molecular Weight301.42 g/mol
Exact Mass301.14
IUPAC Name2-methyl-N-[2-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]propan-2-amine
SMILESCC(C)(C)NCCc1nn2c(-c3ccccc3)nnc2s1
InChIInChI=1S/C15H19N5S/c1-15(2,3)16-10-9-12-19-20-13(17-18-14(20)21-12)11-7-5-4-6-8-11/h4-8,16H,9-10H2,1-3H3
InChIKeyFJIBTNAUMOFCFE-UHFFFAOYSA-N
XLogP2.78
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[2-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]propan-2-amine 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 2-methyl-N-[2-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]propan-2-amine (CID 114353197) is 2-methyl-N-[2-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]propan-2-amine is CC(C)(C)NCCc1nn2c(-c3ccccc3)nnc2s1.
What is the InChIKey of 2-methyl-N-[2-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]propan-2-amine?
The InChIKey is FJIBTNAUMOFCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5S/c1-15(2,3)16-10-9-12-19-20-13(17-18-14(20)21-12)11-7-5-4-6-8-11/h4-8,16H,9-10H2,1-3H3.
What are the key properties of 2-methyl-N-[2-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]propan-2-amine?
2-methyl-N-[2-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]propan-2-amine has a molecular weight of 301.42 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]propan-2-amine is sourced from PubChem (CID 114353197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).