N-cyclooctylthiadiazole-5-carboxamide

C11H17N3OS — CID 47259668

IUPACN-cyclooctylthiadiazole-5-carboxamide
SMILESO=C(NC1CCCCCCC1)c1cnns1
InChIInChI=1S/C11H17N3OS/c15-11(10-8-12-14-16-10)13-9-6-4-2-1-3-5-7-9/h8-9H,1-7H2,(H,13,15)
InChIKeyRYZOHBFPIAWFGF-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.38
Rot. Bonds2

About N-cyclooctylthiadiazole-5-carboxamide

N-cyclooctylthiadiazole-5-carboxamide (PubChem CID 47259668) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is N-cyclooctylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclooctylthiadiazole-5-carboxamide
PubChem CID47259668
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC NameN-cyclooctylthiadiazole-5-carboxamide
SMILESO=C(NC1CCCCCCC1)c1cnns1
InChIInChI=1S/C11H17N3OS/c15-11(10-8-12-14-16-10)13-9-6-4-2-1-3-5-7-9/h8-9H,1-7H2,(H,13,15)
InChIKeyRYZOHBFPIAWFGF-UHFFFAOYSA-N
XLogP2.38
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclooctylthiadiazole-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-cyclooctylthiadiazole-5-carboxamide?
The IUPAC name of N-cyclooctylthiadiazole-5-carboxamide (CID 47259668) is N-cyclooctylthiadiazole-5-carboxamide.
What is the SMILES notation for N-cyclooctylthiadiazole-5-carboxamide?
The canonical SMILES for N-cyclooctylthiadiazole-5-carboxamide is O=C(NC1CCCCCCC1)c1cnns1.
What is the InChIKey of N-cyclooctylthiadiazole-5-carboxamide?
The InChIKey is RYZOHBFPIAWFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c15-11(10-8-12-14-16-10)13-9-6-4-2-1-3-5-7-9/h8-9H,1-7H2,(H,13,15).
What are the key properties of N-cyclooctylthiadiazole-5-carboxamide?
N-cyclooctylthiadiazole-5-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctylthiadiazole-5-carboxamide is sourced from PubChem (CID 47259668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).