2-(5-amino-1,2,4-thiadiazol-3-yl)acetyl chloride

C4H4ClN3OS — CID 19930549

IUPAC2-(5-amino-1,2,4-thiadiazol-3-yl)acetyl chloride
SMILESNc1nc(CC(=O)Cl)ns1
InChIInChI=1S/C4H4ClN3OS/c5-2(9)1-3-7-4(6)10-8-3/h1H2,(H2,6,7,8)
InChIKeyHYHYAWHCKQRECU-UHFFFAOYSA-N
MW177.62 g/mol
LogP0.43
Rot. Bonds2

About 2-(5-amino-1,2,4-thiadiazol-3-yl)acetyl chloride

2-(5-amino-1,2,4-thiadiazol-3-yl)acetyl chloride (PubChem CID 19930549) has the molecular formula C4H4ClN3OS and a molecular weight of 177.62 g/mol. Its IUPAC name is 2-(5-amino-1,2,4-thiadiazol-3-yl)acetyl chloride.

Molecular Properties

Compound Name2-(5-amino-1,2,4-thiadiazol-3-yl)acetyl chloride
PubChem CID19930549
Molecular FormulaC4H4ClN3OS
Molecular Weight177.62 g/mol
Exact Mass176.98
IUPAC Name2-(5-amino-1,2,4-thiadiazol-3-yl)acetyl chloride
SMILESNc1nc(CC(=O)Cl)ns1
InChIInChI=1S/C4H4ClN3OS/c5-2(9)1-3-7-4(6)10-8-3/h1H2,(H2,6,7,8)
InChIKeyHYHYAWHCKQRECU-UHFFFAOYSA-N
XLogP0.43
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.62
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(5-amino-1,2,4-thiadiazol-3-yl)acetyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1,2,4-thiadiazol-3-yl)acetyl chloride?
The IUPAC name of 2-(5-amino-1,2,4-thiadiazol-3-yl)acetyl chloride (CID 19930549) is 2-(5-amino-1,2,4-thiadiazol-3-yl)acetyl chloride.
What is the SMILES notation for 2-(5-amino-1,2,4-thiadiazol-3-yl)acetyl chloride?
The canonical SMILES for 2-(5-amino-1,2,4-thiadiazol-3-yl)acetyl chloride is Nc1nc(CC(=O)Cl)ns1.
What is the InChIKey of 2-(5-amino-1,2,4-thiadiazol-3-yl)acetyl chloride?
The InChIKey is HYHYAWHCKQRECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClN3OS/c5-2(9)1-3-7-4(6)10-8-3/h1H2,(H2,6,7,8).
What are the key properties of 2-(5-amino-1,2,4-thiadiazol-3-yl)acetyl chloride?
2-(5-amino-1,2,4-thiadiazol-3-yl)acetyl chloride has a molecular weight of 177.62 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1,2,4-thiadiazol-3-yl)acetyl chloride is sourced from PubChem (CID 19930549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).