2-cyano-2-ethyl-N-(thiadiazol-5-yl)butanamide

C9H12N4OS — CID 114912595

IUPAC2-cyano-2-ethyl-N-(thiadiazol-5-yl)butanamide
SMILESCCC(C#N)(CC)C(=O)Nc1cnns1
InChIInChI=1S/C9H12N4OS/c1-3-9(4-2,6-10)8(14)12-7-5-11-13-15-7/h5H,3-4H2,1-2H3,(H,12,14)
InChIKeyVSJKSSXBSZSRLZ-UHFFFAOYSA-N
MW224.29 g/mol
LogP1.81
Rot. Bonds4

About 2-cyano-2-ethyl-N-(thiadiazol-5-yl)butanamide

2-cyano-2-ethyl-N-(thiadiazol-5-yl)butanamide (PubChem CID 114912595) has the molecular formula C9H12N4OS and a molecular weight of 224.29 g/mol. Its IUPAC name is 2-cyano-2-ethyl-N-(thiadiazol-5-yl)butanamide.

Molecular Properties

Compound Name2-cyano-2-ethyl-N-(thiadiazol-5-yl)butanamide
PubChem CID114912595
Molecular FormulaC9H12N4OS
Molecular Weight224.29 g/mol
Exact Mass224.07
IUPAC Name2-cyano-2-ethyl-N-(thiadiazol-5-yl)butanamide
SMILESCCC(C#N)(CC)C(=O)Nc1cnns1
InChIInChI=1S/C9H12N4OS/c1-3-9(4-2,6-10)8(14)12-7-5-11-13-15-7/h5H,3-4H2,1-2H3,(H,12,14)
InChIKeyVSJKSSXBSZSRLZ-UHFFFAOYSA-N
XLogP1.81
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-ethyl-N-(thiadiazol-5-yl)butanamide?
The IUPAC name of 2-cyano-2-ethyl-N-(thiadiazol-5-yl)butanamide (CID 114912595) is 2-cyano-2-ethyl-N-(thiadiazol-5-yl)butanamide.
What is the SMILES notation for 2-cyano-2-ethyl-N-(thiadiazol-5-yl)butanamide?
The canonical SMILES for 2-cyano-2-ethyl-N-(thiadiazol-5-yl)butanamide is CCC(C#N)(CC)C(=O)Nc1cnns1.
What is the InChIKey of 2-cyano-2-ethyl-N-(thiadiazol-5-yl)butanamide?
The InChIKey is VSJKSSXBSZSRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS/c1-3-9(4-2,6-10)8(14)12-7-5-11-13-15-7/h5H,3-4H2,1-2H3,(H,12,14).
What are the key properties of 2-cyano-2-ethyl-N-(thiadiazol-5-yl)butanamide?
2-cyano-2-ethyl-N-(thiadiazol-5-yl)butanamide has a molecular weight of 224.29 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-ethyl-N-(thiadiazol-5-yl)butanamide is sourced from PubChem (CID 114912595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).