2-chloro-2-(thiadiazol-4-yloxy)acetamide

C4H4ClN3O2S — CID 70277418

IUPAC2-chloro-2-(thiadiazol-4-yloxy)acetamide
SMILESNC(=O)C(Cl)Oc1csnn1
InChIInChI=1S/C4H4ClN3O2S/c5-3(4(6)9)10-2-1-11-8-7-2/h1,3H,(H2,6,9)
InChIKeyHPSFWWPFCHTXDI-UHFFFAOYSA-N
MW193.62 g/mol
LogP-0.03
Rot. Bonds3

About 2-chloro-2-(thiadiazol-4-yloxy)acetamide

2-chloro-2-(thiadiazol-4-yloxy)acetamide (PubChem CID 70277418) has the molecular formula C4H4ClN3O2S and a molecular weight of 193.62 g/mol. Its IUPAC name is 2-chloro-2-(thiadiazol-4-yloxy)acetamide.

Molecular Properties

Compound Name2-chloro-2-(thiadiazol-4-yloxy)acetamide
PubChem CID70277418
Molecular FormulaC4H4ClN3O2S
Molecular Weight193.62 g/mol
Exact Mass192.97
IUPAC Name2-chloro-2-(thiadiazol-4-yloxy)acetamide
SMILESNC(=O)C(Cl)Oc1csnn1
InChIInChI=1S/C4H4ClN3O2S/c5-3(4(6)9)10-2-1-11-8-7-2/h1,3H,(H2,6,9)
InChIKeyHPSFWWPFCHTXDI-UHFFFAOYSA-N
XLogP-0.03
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.62
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(thiadiazol-4-yloxy)acetamide?
The IUPAC name of 2-chloro-2-(thiadiazol-4-yloxy)acetamide (CID 70277418) is 2-chloro-2-(thiadiazol-4-yloxy)acetamide.
What is the SMILES notation for 2-chloro-2-(thiadiazol-4-yloxy)acetamide?
The canonical SMILES for 2-chloro-2-(thiadiazol-4-yloxy)acetamide is NC(=O)C(Cl)Oc1csnn1.
What is the InChIKey of 2-chloro-2-(thiadiazol-4-yloxy)acetamide?
The InChIKey is HPSFWWPFCHTXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClN3O2S/c5-3(4(6)9)10-2-1-11-8-7-2/h1,3H,(H2,6,9).
What are the key properties of 2-chloro-2-(thiadiazol-4-yloxy)acetamide?
2-chloro-2-(thiadiazol-4-yloxy)acetamide has a molecular weight of 193.62 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(thiadiazol-4-yloxy)acetamide is sourced from PubChem (CID 70277418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).