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

C9H13N3S — CID 130544170

IUPAC2-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylbutanenitrile
SMILESCCc1nsc(C(C)(C#N)CC)n1
InChIInChI=1S/C9H13N3S/c1-4-7-11-8(13-12-7)9(3,5-2)6-10/h4-5H2,1-3H3
InChIKeyRDIVYQQHTZKVKD-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.29
Rot. Bonds3

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

2-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylbutanenitrile (PubChem CID 130544170) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is 2-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylbutanenitrile.

Molecular Properties

Compound Name2-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylbutanenitrile
PubChem CID130544170
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name2-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylbutanenitrile
SMILESCCc1nsc(C(C)(C#N)CC)n1
InChIInChI=1S/C9H13N3S/c1-4-7-11-8(13-12-7)9(3,5-2)6-10/h4-5H2,1-3H3
InChIKeyRDIVYQQHTZKVKD-UHFFFAOYSA-N
XLogP2.29
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylbutanenitrile 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-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylbutanenitrile?
The IUPAC name of 2-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylbutanenitrile (CID 130544170) is 2-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylbutanenitrile.
What is the SMILES notation for 2-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylbutanenitrile?
The canonical SMILES for 2-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylbutanenitrile is CCc1nsc(C(C)(C#N)CC)n1.
What is the InChIKey of 2-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylbutanenitrile?
The InChIKey is RDIVYQQHTZKVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c1-4-7-11-8(13-12-7)9(3,5-2)6-10/h4-5H2,1-3H3.
What are the key properties of 2-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylbutanenitrile?
2-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylbutanenitrile has a molecular weight of 195.29 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylbutanenitrile is sourced from PubChem (CID 130544170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).