2-(1,3,4-thiadiazol-2-yl)butanamide

C6H9N3OS — CID 67406005

IUPAC2-(1,3,4-thiadiazol-2-yl)butanamide
SMILESCCC(C(N)=O)c1nncs1
InChIInChI=1S/C6H9N3OS/c1-2-4(5(7)10)6-9-8-3-11-6/h3-4H,2H2,1H3,(H2,7,10)
InChIKeyUZMYAPGFTKWHDL-UHFFFAOYSA-N
MW171.22 g/mol
LogP0.52
Rot. Bonds3

About 2-(1,3,4-thiadiazol-2-yl)butanamide

2-(1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 67406005) has the molecular formula C6H9N3OS and a molecular weight of 171.22 g/mol. Its IUPAC name is 2-(1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name2-(1,3,4-thiadiazol-2-yl)butanamide
PubChem CID67406005
Molecular FormulaC6H9N3OS
Molecular Weight171.22 g/mol
Exact Mass171.05
IUPAC Name2-(1,3,4-thiadiazol-2-yl)butanamide
SMILESCCC(C(N)=O)c1nncs1
InChIInChI=1S/C6H9N3OS/c1-2-4(5(7)10)6-9-8-3-11-6/h3-4H,2H2,1H3,(H2,7,10)
InChIKeyUZMYAPGFTKWHDL-UHFFFAOYSA-N
XLogP0.52
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of 2-(1,3,4-thiadiazol-2-yl)butanamide (CID 67406005) is 2-(1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for 2-(1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for 2-(1,3,4-thiadiazol-2-yl)butanamide is CCC(C(N)=O)c1nncs1.
What is the InChIKey of 2-(1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is UZMYAPGFTKWHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS/c1-2-4(5(7)10)6-9-8-3-11-6/h3-4H,2H2,1H3,(H2,7,10).
What are the key properties of 2-(1,3,4-thiadiazol-2-yl)butanamide?
2-(1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 171.22 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 67406005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).