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

C5H6ClN3OS — CID 82110027

IUPAC2-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide
SMILESCc1nsc(NC(=O)CCl)n1
InChIInChI=1S/C5H6ClN3OS/c1-3-7-5(11-9-3)8-4(10)2-6/h2H2,1H3,(H,7,8,9,10)
InChIKeyISAUUNFBWHHQIJ-UHFFFAOYSA-N
MW191.64 g/mol
LogP1.02
Rot. Bonds2

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

2-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide (PubChem CID 82110027) has the molecular formula C5H6ClN3OS and a molecular weight of 191.64 g/mol. Its IUPAC name is 2-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide
PubChem CID82110027
Molecular FormulaC5H6ClN3OS
Molecular Weight191.64 g/mol
Exact Mass190.99
IUPAC Name2-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide
SMILESCc1nsc(NC(=O)CCl)n1
InChIInChI=1S/C5H6ClN3OS/c1-3-7-5(11-9-3)8-4(10)2-6/h2H2,1H3,(H,7,8,9,10)
InChIKeyISAUUNFBWHHQIJ-UHFFFAOYSA-N
XLogP1.02
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.64
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(3-methyl-1,2,4-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-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide?
The IUPAC name of 2-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide (CID 82110027) is 2-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide?
The canonical SMILES for 2-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide is Cc1nsc(NC(=O)CCl)n1.
What is the InChIKey of 2-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide?
The InChIKey is ISAUUNFBWHHQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN3OS/c1-3-7-5(11-9-3)8-4(10)2-6/h2H2,1H3,(H,7,8,9,10).
What are the key properties of 2-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide?
2-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide has a molecular weight of 191.64 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide is sourced from PubChem (CID 82110027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).