2-chloro-2-fluoro-N-[1-(4-methylthiadiazol-5-yl)ethyl]acetamide

C7H9ClFN3OS — CID 166428061

IUPAC2-chloro-2-fluoro-N-[1-(4-methylthiadiazol-5-yl)ethyl]acetamide
SMILESCc1nnsc1C(C)NC(=O)C(F)Cl
InChIInChI=1S/C7H9ClFN3OS/c1-3(10-7(13)6(8)9)5-4(2)11-12-14-5/h3,6H,1-2H3,(H,10,13)
InChIKeyVJSVCEHWQGOWSG-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.56
Rot. Bonds3

About 2-chloro-2-fluoro-N-[1-(4-methylthiadiazol-5-yl)ethyl]acetamide

2-chloro-2-fluoro-N-[1-(4-methylthiadiazol-5-yl)ethyl]acetamide (PubChem CID 166428061) has the molecular formula C7H9ClFN3OS and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-chloro-2-fluoro-N-[1-(4-methylthiadiazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-2-fluoro-N-[1-(4-methylthiadiazol-5-yl)ethyl]acetamide
PubChem CID166428061
Molecular FormulaC7H9ClFN3OS
Molecular Weight237.69 g/mol
Exact Mass237.01
IUPAC Name2-chloro-2-fluoro-N-[1-(4-methylthiadiazol-5-yl)ethyl]acetamide
SMILESCc1nnsc1C(C)NC(=O)C(F)Cl
InChIInChI=1S/C7H9ClFN3OS/c1-3(10-7(13)6(8)9)5-4(2)11-12-14-5/h3,6H,1-2H3,(H,10,13)
InChIKeyVJSVCEHWQGOWSG-UHFFFAOYSA-N
XLogP1.56
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-chloro-2-fluoro-N-[1-(4-methylthiadiazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-chloro-2-fluoro-N-[1-(4-methylthiadiazol-5-yl)ethyl]acetamide (CID 166428061) is 2-chloro-2-fluoro-N-[1-(4-methylthiadiazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-chloro-2-fluoro-N-[1-(4-methylthiadiazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-chloro-2-fluoro-N-[1-(4-methylthiadiazol-5-yl)ethyl]acetamide is Cc1nnsc1C(C)NC(=O)C(F)Cl.
What is the InChIKey of 2-chloro-2-fluoro-N-[1-(4-methylthiadiazol-5-yl)ethyl]acetamide?
The InChIKey is VJSVCEHWQGOWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClFN3OS/c1-3(10-7(13)6(8)9)5-4(2)11-12-14-5/h3,6H,1-2H3,(H,10,13).
What are the key properties of 2-chloro-2-fluoro-N-[1-(4-methylthiadiazol-5-yl)ethyl]acetamide?
2-chloro-2-fluoro-N-[1-(4-methylthiadiazol-5-yl)ethyl]acetamide has a molecular weight of 237.69 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-fluoro-N-[1-(4-methylthiadiazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 166428061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).