2-chloro-N-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide

C5H3Cl4N3OS — CID 12851599

IUPAC2-chloro-N-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide
SMILESO=C(CCl)Nc1nc(C(Cl)(Cl)Cl)ns1
InChIInChI=1S/C5H3Cl4N3OS/c6-1-2(13)10-4-11-3(12-14-4)5(7,8)9/h1H2,(H,10,11,12,13)
InChIKeyFPJVREXMOBKVJW-UHFFFAOYSA-N
MW294.98 g/mol
LogP2.54
Rot. Bonds2

About 2-chloro-N-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide

2-chloro-N-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide (PubChem CID 12851599) has the molecular formula C5H3Cl4N3OS and a molecular weight of 294.98 g/mol. Its IUPAC name is 2-chloro-N-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide
PubChem CID12851599
Molecular FormulaC5H3Cl4N3OS
Molecular Weight294.98 g/mol
Exact Mass292.88
IUPAC Name2-chloro-N-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide
SMILESO=C(CCl)Nc1nc(C(Cl)(Cl)Cl)ns1
InChIInChI=1S/C5H3Cl4N3OS/c6-1-2(13)10-4-11-3(12-14-4)5(7,8)9/h1H2,(H,10,11,12,13)
InChIKeyFPJVREXMOBKVJW-UHFFFAOYSA-N
XLogP2.54
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.98
LogP ≤ 52.54
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-N-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide?
The IUPAC name of 2-chloro-N-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide (CID 12851599) is 2-chloro-N-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide?
The canonical SMILES for 2-chloro-N-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide is O=C(CCl)Nc1nc(C(Cl)(Cl)Cl)ns1.
What is the InChIKey of 2-chloro-N-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide?
The InChIKey is FPJVREXMOBKVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl4N3OS/c6-1-2(13)10-4-11-3(12-14-4)5(7,8)9/h1H2,(H,10,11,12,13).
What are the key properties of 2-chloro-N-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide?
2-chloro-N-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide has a molecular weight of 294.98 g/mol, XLogP of 2.54, 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-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide is sourced from PubChem (CID 12851599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).