N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide

C11H17N3OS — CID 702129

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
SMILESCCc1nnc(NC(=O)C2CCCCC2)s1
InChIInChI=1S/C11H17N3OS/c1-2-9-13-14-11(16-9)12-10(15)8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H,12,14,15)
InChIKeyWOEITAFJDXDSTM-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.62
Rot. Bonds3

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide (PubChem CID 702129) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
PubChem CID702129
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
SMILESCCc1nnc(NC(=O)C2CCCCC2)s1
InChIInChI=1S/C11H17N3OS/c1-2-9-13-14-11(16-9)12-10(15)8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H,12,14,15)
InChIKeyWOEITAFJDXDSTM-UHFFFAOYSA-N
XLogP2.62
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide 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-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide (CID 702129) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide is CCc1nnc(NC(=O)C2CCCCC2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide?
The InChIKey is WOEITAFJDXDSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-2-9-13-14-11(16-9)12-10(15)8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H,12,14,15).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide has a molecular weight of 239.34 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide is sourced from PubChem (CID 702129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).