2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]ethanamine

C11H21N5S — CID 65270394

IUPAC2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]ethanamine
SMILESCCc1nsc(N2CCCN(CCN)CC2)n1
InChIInChI=1S/C11H21N5S/c1-2-10-13-11(17-14-10)16-6-3-5-15(7-4-12)8-9-16/h2-9,12H2,1H3
InChIKeyDIWZTKCKXYPVIS-UHFFFAOYSA-N
MW255.39 g/mol
LogP0.57
Rot. Bonds4

About 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]ethanamine

2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]ethanamine (PubChem CID 65270394) has the molecular formula C11H21N5S and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]ethanamine
PubChem CID65270394
Molecular FormulaC11H21N5S
Molecular Weight255.39 g/mol
Exact Mass255.15
IUPAC Name2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]ethanamine
SMILESCCc1nsc(N2CCCN(CCN)CC2)n1
InChIInChI=1S/C11H21N5S/c1-2-10-13-11(17-14-10)16-6-3-5-15(7-4-12)8-9-16/h2-9,12H2,1H3
InChIKeyDIWZTKCKXYPVIS-UHFFFAOYSA-N
XLogP0.57
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]ethanamine 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-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]ethanamine?
The IUPAC name of 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]ethanamine (CID 65270394) is 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]ethanamine?
The canonical SMILES for 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]ethanamine is CCc1nsc(N2CCCN(CCN)CC2)n1.
What is the InChIKey of 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]ethanamine?
The InChIKey is DIWZTKCKXYPVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5S/c1-2-10-13-11(17-14-10)16-6-3-5-15(7-4-12)8-9-16/h2-9,12H2,1H3.
What are the key properties of 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]ethanamine?
2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]ethanamine has a molecular weight of 255.39 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]ethanamine is sourced from PubChem (CID 65270394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).