2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide

C5H5F2N3OS — CID 103516086

IUPAC2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide
SMILESCc1nsc(NC(=O)C(F)F)n1
InChIInChI=1S/C5H5F2N3OS/c1-2-8-5(12-10-2)9-4(11)3(6)7/h3H,1H3,(H,8,9,10,11)
InChIKeyLUNXLMKRBYQQPT-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.05
Rot. Bonds2

About 2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide

2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide (PubChem CID 103516086) has the molecular formula C5H5F2N3OS and a molecular weight of 193.18 g/mol. Its IUPAC name is 2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide
PubChem CID103516086
Molecular FormulaC5H5F2N3OS
Molecular Weight193.18 g/mol
Exact Mass193.01
IUPAC Name2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide
SMILESCc1nsc(NC(=O)C(F)F)n1
InChIInChI=1S/C5H5F2N3OS/c1-2-8-5(12-10-2)9-4(11)3(6)7/h3H,1H3,(H,8,9,10,11)
InChIKeyLUNXLMKRBYQQPT-UHFFFAOYSA-N
XLogP1.05
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.05
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-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide?
The IUPAC name of 2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide (CID 103516086) is 2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide is Cc1nsc(NC(=O)C(F)F)n1.
What is the InChIKey of 2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide?
The InChIKey is LUNXLMKRBYQQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2N3OS/c1-2-8-5(12-10-2)9-4(11)3(6)7/h3H,1H3,(H,8,9,10,11).
What are the key properties of 2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide?
2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide has a molecular weight of 193.18 g/mol, XLogP of 1.05, 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-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide is sourced from PubChem (CID 103516086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).