2-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)acetamide

C4H3ClFN3OS — CID 167794890

IUPAC2-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)acetamide
SMILESO=C(Nc1ncns1)C(F)Cl
InChIInChI=1S/C4H3ClFN3OS/c5-2(6)3(10)9-4-7-1-8-11-4/h1-2H,(H,7,8,9,10)
InChIKeyPHUNLAAZXFQDQL-UHFFFAOYSA-N
MW195.61 g/mol
LogP1.01
Rot. Bonds2

About 2-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)acetamide

2-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)acetamide (PubChem CID 167794890) has the molecular formula C4H3ClFN3OS and a molecular weight of 195.61 g/mol. Its IUPAC name is 2-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)acetamide
PubChem CID167794890
Molecular FormulaC4H3ClFN3OS
Molecular Weight195.61 g/mol
Exact Mass194.97
IUPAC Name2-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)acetamide
SMILESO=C(Nc1ncns1)C(F)Cl
InChIInChI=1S/C4H3ClFN3OS/c5-2(6)3(10)9-4-7-1-8-11-4/h1-2H,(H,7,8,9,10)
InChIKeyPHUNLAAZXFQDQL-UHFFFAOYSA-N
XLogP1.01
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 51.01
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-fluoro-N-(1,2,4-thiadiazol-5-yl)acetamide?
The IUPAC name of 2-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)acetamide (CID 167794890) is 2-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)acetamide.
What is the SMILES notation for 2-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)acetamide?
The canonical SMILES for 2-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)acetamide is O=C(Nc1ncns1)C(F)Cl.
What is the InChIKey of 2-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)acetamide?
The InChIKey is PHUNLAAZXFQDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClFN3OS/c5-2(6)3(10)9-4-7-1-8-11-4/h1-2H,(H,7,8,9,10).
What are the key properties of 2-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)acetamide?
2-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)acetamide has a molecular weight of 195.61 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)acetamide is sourced from PubChem (CID 167794890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).