3,3-difluoro-N-(thiadiazol-5-yl)butanamide

C6H7F2N3OS — CID 131132232

IUPAC3,3-difluoro-N-(thiadiazol-5-yl)butanamide
SMILESCC(F)(F)CC(=O)Nc1cnns1
InChIInChI=1S/C6H7F2N3OS/c1-6(7,8)2-4(12)10-5-3-9-11-13-5/h3H,2H2,1H3,(H,10,12)
InChIKeyHQBFMNGVHUNUTQ-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.52
Rot. Bonds3

About 3,3-difluoro-N-(thiadiazol-5-yl)butanamide

3,3-difluoro-N-(thiadiazol-5-yl)butanamide (PubChem CID 131132232) has the molecular formula C6H7F2N3OS and a molecular weight of 207.20 g/mol. Its IUPAC name is 3,3-difluoro-N-(thiadiazol-5-yl)butanamide.

Molecular Properties

Compound Name3,3-difluoro-N-(thiadiazol-5-yl)butanamide
PubChem CID131132232
Molecular FormulaC6H7F2N3OS
Molecular Weight207.20 g/mol
Exact Mass207.03
IUPAC Name3,3-difluoro-N-(thiadiazol-5-yl)butanamide
SMILESCC(F)(F)CC(=O)Nc1cnns1
InChIInChI=1S/C6H7F2N3OS/c1-6(7,8)2-4(12)10-5-3-9-11-13-5/h3H,2H2,1H3,(H,10,12)
InChIKeyHQBFMNGVHUNUTQ-UHFFFAOYSA-N
XLogP1.52
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-(thiadiazol-5-yl)butanamide?
The IUPAC name of 3,3-difluoro-N-(thiadiazol-5-yl)butanamide (CID 131132232) is 3,3-difluoro-N-(thiadiazol-5-yl)butanamide.
What is the SMILES notation for 3,3-difluoro-N-(thiadiazol-5-yl)butanamide?
The canonical SMILES for 3,3-difluoro-N-(thiadiazol-5-yl)butanamide is CC(F)(F)CC(=O)Nc1cnns1.
What is the InChIKey of 3,3-difluoro-N-(thiadiazol-5-yl)butanamide?
The InChIKey is HQBFMNGVHUNUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3OS/c1-6(7,8)2-4(12)10-5-3-9-11-13-5/h3H,2H2,1H3,(H,10,12).
What are the key properties of 3,3-difluoro-N-(thiadiazol-5-yl)butanamide?
3,3-difluoro-N-(thiadiazol-5-yl)butanamide has a molecular weight of 207.20 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-(thiadiazol-5-yl)butanamide is sourced from PubChem (CID 131132232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).