N-(1-cyano-4-ethylcyclohexyl)-4-ethylthiadiazole-5-carboxamide

C14H20N4OS — CID 65205115

IUPACN-(1-cyano-4-ethylcyclohexyl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NC1(C#N)CCC(CC)CC1
InChIInChI=1S/C14H20N4OS/c1-3-10-5-7-14(9-15,8-6-10)16-13(19)12-11(4-2)17-18-20-12/h10H,3-8H2,1-2H3,(H,16,19)
InChIKeyCHAKKXZMWZSKKU-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.69
Rot. Bonds4

About N-(1-cyano-4-ethylcyclohexyl)-4-ethylthiadiazole-5-carboxamide

N-(1-cyano-4-ethylcyclohexyl)-4-ethylthiadiazole-5-carboxamide (PubChem CID 65205115) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is N-(1-cyano-4-ethylcyclohexyl)-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-cyano-4-ethylcyclohexyl)-4-ethylthiadiazole-5-carboxamide
PubChem CID65205115
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC NameN-(1-cyano-4-ethylcyclohexyl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NC1(C#N)CCC(CC)CC1
InChIInChI=1S/C14H20N4OS/c1-3-10-5-7-14(9-15,8-6-10)16-13(19)12-11(4-2)17-18-20-12/h10H,3-8H2,1-2H3,(H,16,19)
InChIKeyCHAKKXZMWZSKKU-UHFFFAOYSA-N
XLogP2.69
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-cyano-4-ethylcyclohexyl)-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-(1-cyano-4-ethylcyclohexyl)-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-(1-cyano-4-ethylcyclohexyl)-4-ethylthiadiazole-5-carboxamide (CID 65205115) is N-(1-cyano-4-ethylcyclohexyl)-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(1-cyano-4-ethylcyclohexyl)-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-(1-cyano-4-ethylcyclohexyl)-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)NC1(C#N)CCC(CC)CC1.
What is the InChIKey of N-(1-cyano-4-ethylcyclohexyl)-4-ethylthiadiazole-5-carboxamide?
The InChIKey is CHAKKXZMWZSKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-3-10-5-7-14(9-15,8-6-10)16-13(19)12-11(4-2)17-18-20-12/h10H,3-8H2,1-2H3,(H,16,19).
What are the key properties of N-(1-cyano-4-ethylcyclohexyl)-4-ethylthiadiazole-5-carboxamide?
N-(1-cyano-4-ethylcyclohexyl)-4-ethylthiadiazole-5-carboxamide has a molecular weight of 292.41 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-4-ethylcyclohexyl)-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 65205115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).