2-chloro-N-(thiadiazol-4-yl)acetamide

C4H4ClN3OS — CID 154197729

IUPAC2-chloro-N-(thiadiazol-4-yl)acetamide
SMILESO=C(CCl)Nc1csnn1
InChIInChI=1S/C4H4ClN3OS/c5-1-4(9)6-3-2-10-8-7-3/h2H,1H2,(H,6,9)
InChIKeyJRZGOUJEVSHFCI-UHFFFAOYSA-N
MW177.62 g/mol
LogP0.72
Rot. Bonds2

About 2-chloro-N-(thiadiazol-4-yl)acetamide

2-chloro-N-(thiadiazol-4-yl)acetamide (PubChem CID 154197729) has the molecular formula C4H4ClN3OS and a molecular weight of 177.62 g/mol. Its IUPAC name is 2-chloro-N-(thiadiazol-4-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(thiadiazol-4-yl)acetamide
PubChem CID154197729
Molecular FormulaC4H4ClN3OS
Molecular Weight177.62 g/mol
Exact Mass176.98
IUPAC Name2-chloro-N-(thiadiazol-4-yl)acetamide
SMILESO=C(CCl)Nc1csnn1
InChIInChI=1S/C4H4ClN3OS/c5-1-4(9)6-3-2-10-8-7-3/h2H,1H2,(H,6,9)
InChIKeyJRZGOUJEVSHFCI-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'}

Analyze 2-chloro-N-(thiadiazol-4-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-(thiadiazol-4-yl)acetamide?
The IUPAC name of 2-chloro-N-(thiadiazol-4-yl)acetamide (CID 154197729) is 2-chloro-N-(thiadiazol-4-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(thiadiazol-4-yl)acetamide?
The canonical SMILES for 2-chloro-N-(thiadiazol-4-yl)acetamide is O=C(CCl)Nc1csnn1.
What is the InChIKey of 2-chloro-N-(thiadiazol-4-yl)acetamide?
The InChIKey is JRZGOUJEVSHFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClN3OS/c5-1-4(9)6-3-2-10-8-7-3/h2H,1H2,(H,6,9).
What are the key properties of 2-chloro-N-(thiadiazol-4-yl)acetamide?
2-chloro-N-(thiadiazol-4-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-(thiadiazol-4-yl)acetamide is sourced from PubChem (CID 154197729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).