N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine

C13H20N6S — CID 133486025

IUPACN-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)Cc1nsc(NCCn2cnnc2C2CC2)n1
InChIInChI=1S/C13H20N6S/c1-9(2)7-11-16-13(20-18-11)14-5-6-19-8-15-17-12(19)10-3-4-10/h8-10H,3-7H2,1-2H3,(H,14,16,18)
InChIKeyKWYFIUQWAYLOEF-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.32
Rot. Bonds7

About N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine

N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 133486025) has the molecular formula C13H20N6S and a molecular weight of 292.41 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
PubChem CID133486025
Molecular FormulaC13H20N6S
Molecular Weight292.41 g/mol
Exact Mass292.15
IUPAC NameN-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)Cc1nsc(NCCn2cnnc2C2CC2)n1
InChIInChI=1S/C13H20N6S/c1-9(2)7-11-16-13(20-18-11)14-5-6-19-8-15-17-12(19)10-3-4-10/h8-10H,3-7H2,1-2H3,(H,14,16,18)
InChIKeyKWYFIUQWAYLOEF-UHFFFAOYSA-N
XLogP2.32
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-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 N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine (CID 133486025) is N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine is CC(C)Cc1nsc(NCCn2cnnc2C2CC2)n1.
What is the InChIKey of N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is KWYFIUQWAYLOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6S/c1-9(2)7-11-16-13(20-18-11)14-5-6-19-8-15-17-12(19)10-3-4-10/h8-10H,3-7H2,1-2H3,(H,14,16,18).
What are the key properties of N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 292.41 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133486025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).