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

C5H4ClF2N3OS — CID 130710359

IUPAC2-chloro-2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide
SMILESCc1nsc(NC(=O)C(F)(F)Cl)n1
InChIInChI=1S/C5H4ClF2N3OS/c1-2-9-4(13-11-2)10-3(12)5(6,7)8/h1H3,(H,9,10,11,12)
InChIKeyVWACDYUVXUZAJM-UHFFFAOYSA-N
MW227.62 g/mol
LogP1.62
Rot. Bonds2

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

2-chloro-2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide (PubChem CID 130710359) has the molecular formula C5H4ClF2N3OS and a molecular weight of 227.62 g/mol. Its IUPAC name is 2-chloro-2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-chloro-2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide
PubChem CID130710359
Molecular FormulaC5H4ClF2N3OS
Molecular Weight227.62 g/mol
Exact Mass226.97
IUPAC Name2-chloro-2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide
SMILESCc1nsc(NC(=O)C(F)(F)Cl)n1
InChIInChI=1S/C5H4ClF2N3OS/c1-2-9-4(13-11-2)10-3(12)5(6,7)8/h1H3,(H,9,10,11,12)
InChIKeyVWACDYUVXUZAJM-UHFFFAOYSA-N
XLogP1.62
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.62
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide?
The IUPAC name of 2-chloro-2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide (CID 130710359) is 2-chloro-2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide.
What is the SMILES notation for 2-chloro-2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide?
The canonical SMILES for 2-chloro-2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide is Cc1nsc(NC(=O)C(F)(F)Cl)n1.
What is the InChIKey of 2-chloro-2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide?
The InChIKey is VWACDYUVXUZAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClF2N3OS/c1-2-9-4(13-11-2)10-3(12)5(6,7)8/h1H3,(H,9,10,11,12).
What are the key properties of 2-chloro-2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide?
2-chloro-2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide has a molecular weight of 227.62 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide is sourced from PubChem (CID 130710359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).