2-(azepan-1-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide

C14H24N4OS — CID 50975374

IUPAC2-(azepan-1-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide
SMILESCC(C)c1nnsc1CNC(=O)CN1CCCCCC1
InChIInChI=1S/C14H24N4OS/c1-11(2)14-12(20-17-16-14)9-15-13(19)10-18-7-5-3-4-6-8-18/h11H,3-10H2,1-2H3,(H,15,19)
InChIKeyIWNQXYTTZBEYFH-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.15
Rot. Bonds5

About 2-(azepan-1-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide

2-(azepan-1-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide (PubChem CID 50975374) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide
PubChem CID50975374
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name2-(azepan-1-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide
SMILESCC(C)c1nnsc1CNC(=O)CN1CCCCCC1
InChIInChI=1S/C14H24N4OS/c1-11(2)14-12(20-17-16-14)9-15-13(19)10-18-7-5-3-4-6-8-18/h11H,3-10H2,1-2H3,(H,15,19)
InChIKeyIWNQXYTTZBEYFH-UHFFFAOYSA-N
XLogP2.15
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(azepan-1-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide 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-(azepan-1-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide (CID 50975374) is 2-(azepan-1-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide is CC(C)c1nnsc1CNC(=O)CN1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide?
The InChIKey is IWNQXYTTZBEYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-11(2)14-12(20-17-16-14)9-15-13(19)10-18-7-5-3-4-6-8-18/h11H,3-10H2,1-2H3,(H,15,19).
What are the key properties of 2-(azepan-1-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide?
2-(azepan-1-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide has a molecular weight of 296.44 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 50975374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).