N-[2-(azepan-1-yl)ethyl]-4-ethylthiadiazole-5-carboxamide

C13H22N4OS — CID 47168544

IUPACN-[2-(azepan-1-yl)ethyl]-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCCN1CCCCCC1
InChIInChI=1S/C13H22N4OS/c1-2-11-12(19-16-15-11)13(18)14-7-10-17-8-5-3-4-6-9-17/h2-10H2,1H3,(H,14,18)
InChIKeyNAIHGOXTVLTRMY-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.71
Rot. Bonds5

About N-[2-(azepan-1-yl)ethyl]-4-ethylthiadiazole-5-carboxamide

N-[2-(azepan-1-yl)ethyl]-4-ethylthiadiazole-5-carboxamide (PubChem CID 47168544) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-4-ethylthiadiazole-5-carboxamide
PubChem CID47168544
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC NameN-[2-(azepan-1-yl)ethyl]-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCCN1CCCCCC1
InChIInChI=1S/C13H22N4OS/c1-2-11-12(19-16-15-11)13(18)14-7-10-17-8-5-3-4-6-9-17/h2-10H2,1H3,(H,14,18)
InChIKeyNAIHGOXTVLTRMY-UHFFFAOYSA-N
XLogP1.71
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(azepan-1-yl)ethyl]-4-ethylthiadiazole-5-carboxamide 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]-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-4-ethylthiadiazole-5-carboxamide (CID 47168544) is N-[2-(azepan-1-yl)ethyl]-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)NCCN1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-4-ethylthiadiazole-5-carboxamide?
The InChIKey is NAIHGOXTVLTRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-2-11-12(19-16-15-11)13(18)14-7-10-17-8-5-3-4-6-9-17/h2-10H2,1H3,(H,14,18).
What are the key properties of N-[2-(azepan-1-yl)ethyl]-4-ethylthiadiazole-5-carboxamide?
N-[2-(azepan-1-yl)ethyl]-4-ethylthiadiazole-5-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 1.71, 5 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]-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 47168544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).