N-(5-amino-1,2,4-thiadiazol-3-yl)-2-chloroacetamide

C4H5ClN4OS — CID 35794344

IUPACN-(5-amino-1,2,4-thiadiazol-3-yl)-2-chloroacetamide
SMILESNc1nc(NC(=O)CCl)ns1
InChIInChI=1S/C4H5ClN4OS/c5-1-2(10)7-4-8-3(6)11-9-4/h1H2,(H3,6,7,8,9,10)
InChIKeyOPOQXJZIOGZIDF-UHFFFAOYSA-N
MW192.63 g/mol
LogP0.30
Rot. Bonds2

About N-(5-amino-1,2,4-thiadiazol-3-yl)-2-chloroacetamide

N-(5-amino-1,2,4-thiadiazol-3-yl)-2-chloroacetamide (PubChem CID 35794344) has the molecular formula C4H5ClN4OS and a molecular weight of 192.63 g/mol. Its IUPAC name is N-(5-amino-1,2,4-thiadiazol-3-yl)-2-chloroacetamide.

Molecular Properties

Compound NameN-(5-amino-1,2,4-thiadiazol-3-yl)-2-chloroacetamide
PubChem CID35794344
Molecular FormulaC4H5ClN4OS
Molecular Weight192.63 g/mol
Exact Mass191.99
IUPAC NameN-(5-amino-1,2,4-thiadiazol-3-yl)-2-chloroacetamide
SMILESNc1nc(NC(=O)CCl)ns1
InChIInChI=1S/C4H5ClN4OS/c5-1-2(10)7-4-8-3(6)11-9-4/h1H2,(H3,6,7,8,9,10)
InChIKeyOPOQXJZIOGZIDF-UHFFFAOYSA-N
XLogP0.30
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.63
LogP ≤ 50.30
H-Bond Donors ≤ 52
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 N-(5-amino-1,2,4-thiadiazol-3-yl)-2-chloroacetamide?
The IUPAC name of N-(5-amino-1,2,4-thiadiazol-3-yl)-2-chloroacetamide (CID 35794344) is N-(5-amino-1,2,4-thiadiazol-3-yl)-2-chloroacetamide.
What is the SMILES notation for N-(5-amino-1,2,4-thiadiazol-3-yl)-2-chloroacetamide?
The canonical SMILES for N-(5-amino-1,2,4-thiadiazol-3-yl)-2-chloroacetamide is Nc1nc(NC(=O)CCl)ns1.
What is the InChIKey of N-(5-amino-1,2,4-thiadiazol-3-yl)-2-chloroacetamide?
The InChIKey is OPOQXJZIOGZIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN4OS/c5-1-2(10)7-4-8-3(6)11-9-4/h1H2,(H3,6,7,8,9,10).
What are the key properties of N-(5-amino-1,2,4-thiadiazol-3-yl)-2-chloroacetamide?
N-(5-amino-1,2,4-thiadiazol-3-yl)-2-chloroacetamide has a molecular weight of 192.63 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1,2,4-thiadiazol-3-yl)-2-chloroacetamide is sourced from PubChem (CID 35794344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).