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

C4H4ClN3OS — CID 22887946

IUPAC2-chloro-N-(1,2,4-thiadiazol-5-yl)acetamide
SMILESO=C(CCl)Nc1ncns1
InChIInChI=1S/C4H4ClN3OS/c5-1-3(9)8-4-6-2-7-10-4/h2H,1H2,(H,6,7,8,9)
InChIKeyKMRYGUDMQMFDGJ-UHFFFAOYSA-N
MW177.62 g/mol
LogP0.72
Rot. Bonds2

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

2-chloro-N-(1,2,4-thiadiazol-5-yl)acetamide (PubChem CID 22887946) has the molecular formula C4H4ClN3OS and a molecular weight of 177.62 g/mol. Its IUPAC name is 2-chloro-N-(1,2,4-thiadiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(1,2,4-thiadiazol-5-yl)acetamide
PubChem CID22887946
Molecular FormulaC4H4ClN3OS
Molecular Weight177.62 g/mol
Exact Mass176.98
IUPAC Name2-chloro-N-(1,2,4-thiadiazol-5-yl)acetamide
SMILESO=C(CCl)Nc1ncns1
InChIInChI=1S/C4H4ClN3OS/c5-1-3(9)8-4-6-2-7-10-4/h2H,1H2,(H,6,7,8,9)
InChIKeyKMRYGUDMQMFDGJ-UHFFFAOYSA-N
XLogP0.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.62
LogP ≤ 50.72
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-N-(1,2,4-thiadiazol-5-yl)acetamide?
The IUPAC name of 2-chloro-N-(1,2,4-thiadiazol-5-yl)acetamide (CID 22887946) is 2-chloro-N-(1,2,4-thiadiazol-5-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(1,2,4-thiadiazol-5-yl)acetamide?
The canonical SMILES for 2-chloro-N-(1,2,4-thiadiazol-5-yl)acetamide is O=C(CCl)Nc1ncns1.
What is the InChIKey of 2-chloro-N-(1,2,4-thiadiazol-5-yl)acetamide?
The InChIKey is KMRYGUDMQMFDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClN3OS/c5-1-3(9)8-4-6-2-7-10-4/h2H,1H2,(H,6,7,8,9).
What are the key properties of 2-chloro-N-(1,2,4-thiadiazol-5-yl)acetamide?
2-chloro-N-(1,2,4-thiadiazol-5-yl)acetamide has a molecular weight of 177.62 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,2,4-thiadiazol-5-yl)acetamide is sourced from PubChem (CID 22887946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).