N-[2-(azepan-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine

C11H20N4S — CID 65267808

IUPACN-[2-(azepan-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCCN2CCCCCC2)n1
InChIInChI=1S/C11H20N4S/c1-10-13-11(16-14-10)12-6-9-15-7-4-2-3-5-8-15/h2-9H2,1H3,(H,12,13,14)
InChIKeySJXYIQCMPQGNSB-UHFFFAOYSA-N
MW240.38 g/mol
LogP2.13
Rot. Bonds4

About N-[2-(azepan-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine

N-[2-(azepan-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 65267808) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID65267808
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC NameN-[2-(azepan-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCCN2CCCCCC2)n1
InChIInChI=1S/C11H20N4S/c1-10-13-11(16-14-10)12-6-9-15-7-4-2-3-5-8-15/h2-9H2,1H3,(H,12,13,14)
InChIKeySJXYIQCMPQGNSB-UHFFFAOYSA-N
XLogP2.13
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(azepan-1-yl)ethyl]-3-methyl-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-(azepan-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine (CID 65267808) is N-[2-(azepan-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine is Cc1nsc(NCCN2CCCCCC2)n1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is SJXYIQCMPQGNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-10-13-11(16-14-10)12-6-9-15-7-4-2-3-5-8-15/h2-9H2,1H3,(H,12,13,14).
What are the key properties of N-[2-(azepan-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine?
N-[2-(azepan-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 240.38 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).