N-(1-cyanoethyl)-4-ethylthiadiazole-5-carboxamide

C8H10N4OS — CID 62046686

IUPACN-(1-cyanoethyl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NC(C)C#N
InChIInChI=1S/C8H10N4OS/c1-3-6-7(14-12-11-6)8(13)10-5(2)4-9/h5H,3H2,1-2H3,(H,10,13)
InChIKeyBIJDIXZQFWBIKK-UHFFFAOYSA-N
MW210.26 g/mol
LogP0.74
Rot. Bonds3

About N-(1-cyanoethyl)-4-ethylthiadiazole-5-carboxamide

N-(1-cyanoethyl)-4-ethylthiadiazole-5-carboxamide (PubChem CID 62046686) has the molecular formula C8H10N4OS and a molecular weight of 210.26 g/mol. Its IUPAC name is N-(1-cyanoethyl)-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-cyanoethyl)-4-ethylthiadiazole-5-carboxamide
PubChem CID62046686
Molecular FormulaC8H10N4OS
Molecular Weight210.26 g/mol
Exact Mass210.06
IUPAC NameN-(1-cyanoethyl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NC(C)C#N
InChIInChI=1S/C8H10N4OS/c1-3-6-7(14-12-11-6)8(13)10-5(2)4-9/h5H,3H2,1-2H3,(H,10,13)
InChIKeyBIJDIXZQFWBIKK-UHFFFAOYSA-N
XLogP0.74
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-cyanoethyl)-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-cyanoethyl)-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-(1-cyanoethyl)-4-ethylthiadiazole-5-carboxamide (CID 62046686) is N-(1-cyanoethyl)-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(1-cyanoethyl)-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-(1-cyanoethyl)-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)NC(C)C#N.
What is the InChIKey of N-(1-cyanoethyl)-4-ethylthiadiazole-5-carboxamide?
The InChIKey is BIJDIXZQFWBIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OS/c1-3-6-7(14-12-11-6)8(13)10-5(2)4-9/h5H,3H2,1-2H3,(H,10,13).
What are the key properties of N-(1-cyanoethyl)-4-ethylthiadiazole-5-carboxamide?
N-(1-cyanoethyl)-4-ethylthiadiazole-5-carboxamide has a molecular weight of 210.26 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanoethyl)-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 62046686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).