2,2-difluoro-N-(thiadiazol-4-yl)acetamide

C4H3F2N3OS — CID 130679169

IUPAC2,2-difluoro-N-(thiadiazol-4-yl)acetamide
SMILESO=C(Nc1csnn1)C(F)F
InChIInChI=1S/C4H3F2N3OS/c5-3(6)4(10)7-2-1-11-9-8-2/h1,3H,(H,7,10)
InChIKeyMGPNIEGMUCLXMD-UHFFFAOYSA-N
MW179.15 g/mol
LogP0.74
Rot. Bonds2

About 2,2-difluoro-N-(thiadiazol-4-yl)acetamide

2,2-difluoro-N-(thiadiazol-4-yl)acetamide (PubChem CID 130679169) has the molecular formula C4H3F2N3OS and a molecular weight of 179.15 g/mol. Its IUPAC name is 2,2-difluoro-N-(thiadiazol-4-yl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(thiadiazol-4-yl)acetamide
PubChem CID130679169
Molecular FormulaC4H3F2N3OS
Molecular Weight179.15 g/mol
Exact Mass179.00
IUPAC Name2,2-difluoro-N-(thiadiazol-4-yl)acetamide
SMILESO=C(Nc1csnn1)C(F)F
InChIInChI=1S/C4H3F2N3OS/c5-3(6)4(10)7-2-1-11-9-8-2/h1,3H,(H,7,10)
InChIKeyMGPNIEGMUCLXMD-UHFFFAOYSA-N
XLogP0.74
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(thiadiazol-4-yl)acetamide?
The IUPAC name of 2,2-difluoro-N-(thiadiazol-4-yl)acetamide (CID 130679169) is 2,2-difluoro-N-(thiadiazol-4-yl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(thiadiazol-4-yl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(thiadiazol-4-yl)acetamide is O=C(Nc1csnn1)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(thiadiazol-4-yl)acetamide?
The InChIKey is MGPNIEGMUCLXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F2N3OS/c5-3(6)4(10)7-2-1-11-9-8-2/h1,3H,(H,7,10).
What are the key properties of 2,2-difluoro-N-(thiadiazol-4-yl)acetamide?
2,2-difluoro-N-(thiadiazol-4-yl)acetamide has a molecular weight of 179.15 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(thiadiazol-4-yl)acetamide is sourced from PubChem (CID 130679169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).