2-chloro-N-(2-oxo-3H-1,3,4-thiadiazol-5-yl)acetamide

C4H4ClN3O2S — CID 166431739

IUPAC2-chloro-N-(2-oxo-3H-1,3,4-thiadiazol-5-yl)acetamide
SMILESO=C(CCl)Nc1n[nH]c(=O)s1
InChIInChI=1S/C4H4ClN3O2S/c5-1-2(9)6-3-7-8-4(10)11-3/h1H2,(H,8,10)(H,6,7,9)
InChIKeyCPHOVOHUSUZWMQ-UHFFFAOYSA-N
MW193.61 g/mol
LogP0.01
Rot. Bonds2

About 2-chloro-N-(2-oxo-3H-1,3,4-thiadiazol-5-yl)acetamide

2-chloro-N-(2-oxo-3H-1,3,4-thiadiazol-5-yl)acetamide (PubChem CID 166431739) has the molecular formula C4H4ClN3O2S and a molecular weight of 193.61 g/mol. Its IUPAC name is 2-chloro-N-(2-oxo-3H-1,3,4-thiadiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-oxo-3H-1,3,4-thiadiazol-5-yl)acetamide
PubChem CID166431739
Molecular FormulaC4H4ClN3O2S
Molecular Weight193.61 g/mol
Exact Mass192.97
IUPAC Name2-chloro-N-(2-oxo-3H-1,3,4-thiadiazol-5-yl)acetamide
SMILESO=C(CCl)Nc1n[nH]c(=O)s1
InChIInChI=1S/C4H4ClN3O2S/c5-1-2(9)6-3-7-8-4(10)11-3/h1H2,(H,8,10)(H,6,7,9)
InChIKeyCPHOVOHUSUZWMQ-UHFFFAOYSA-N
XLogP0.01
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.61
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(2-oxo-3H-1,3,4-thiadiazol-5-yl)acetamide 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-chloro-N-(2-oxo-3H-1,3,4-thiadiazol-5-yl)acetamide?
The IUPAC name of 2-chloro-N-(2-oxo-3H-1,3,4-thiadiazol-5-yl)acetamide (CID 166431739) is 2-chloro-N-(2-oxo-3H-1,3,4-thiadiazol-5-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-oxo-3H-1,3,4-thiadiazol-5-yl)acetamide?
The canonical SMILES for 2-chloro-N-(2-oxo-3H-1,3,4-thiadiazol-5-yl)acetamide is O=C(CCl)Nc1n[nH]c(=O)s1.
What is the InChIKey of 2-chloro-N-(2-oxo-3H-1,3,4-thiadiazol-5-yl)acetamide?
The InChIKey is CPHOVOHUSUZWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClN3O2S/c5-1-2(9)6-3-7-8-4(10)11-3/h1H2,(H,8,10)(H,6,7,9).
What are the key properties of 2-chloro-N-(2-oxo-3H-1,3,4-thiadiazol-5-yl)acetamide?
2-chloro-N-(2-oxo-3H-1,3,4-thiadiazol-5-yl)acetamide has a molecular weight of 193.61 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-oxo-3H-1,3,4-thiadiazol-5-yl)acetamide is sourced from PubChem (CID 166431739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).