2,2,2-trichloro-N-[4-(thiadiazol-4-yl)phenyl]acetamide

C10H6Cl3N3OS — CID 2739182

IUPAC2,2,2-trichloro-N-[4-(thiadiazol-4-yl)phenyl]acetamide
SMILESO=C(Nc1ccc(-c2csnn2)cc1)C(Cl)(Cl)Cl
InChIInChI=1S/C10H6Cl3N3OS/c11-10(12,13)9(17)14-7-3-1-6(2-4-7)8-5-18-16-15-8/h1-5H,(H,14,17)
InChIKeyOBNMYINJKKQQOH-UHFFFAOYSA-N
MW322.60 g/mol
LogP3.51
Rot. Bonds2

About 2,2,2-trichloro-N-[4-(thiadiazol-4-yl)phenyl]acetamide

2,2,2-trichloro-N-[4-(thiadiazol-4-yl)phenyl]acetamide (PubChem CID 2739182) has the molecular formula C10H6Cl3N3OS and a molecular weight of 322.60 g/mol. Its IUPAC name is 2,2,2-trichloro-N-[4-(thiadiazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-[4-(thiadiazol-4-yl)phenyl]acetamide
PubChem CID2739182
Molecular FormulaC10H6Cl3N3OS
Molecular Weight322.60 g/mol
Exact Mass320.93
IUPAC Name2,2,2-trichloro-N-[4-(thiadiazol-4-yl)phenyl]acetamide
SMILESO=C(Nc1ccc(-c2csnn2)cc1)C(Cl)(Cl)Cl
InChIInChI=1S/C10H6Cl3N3OS/c11-10(12,13)9(17)14-7-3-1-6(2-4-7)8-5-18-16-15-8/h1-5H,(H,14,17)
InChIKeyOBNMYINJKKQQOH-UHFFFAOYSA-N
XLogP3.51
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.60
LogP ≤ 53.51
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 2,2,2-trichloro-N-[4-(thiadiazol-4-yl)phenyl]acetamide?
The IUPAC name of 2,2,2-trichloro-N-[4-(thiadiazol-4-yl)phenyl]acetamide (CID 2739182) is 2,2,2-trichloro-N-[4-(thiadiazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-[4-(thiadiazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2,2,2-trichloro-N-[4-(thiadiazol-4-yl)phenyl]acetamide is O=C(Nc1ccc(-c2csnn2)cc1)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N-[4-(thiadiazol-4-yl)phenyl]acetamide?
The InChIKey is OBNMYINJKKQQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl3N3OS/c11-10(12,13)9(17)14-7-3-1-6(2-4-7)8-5-18-16-15-8/h1-5H,(H,14,17).
What are the key properties of 2,2,2-trichloro-N-[4-(thiadiazol-4-yl)phenyl]acetamide?
2,2,2-trichloro-N-[4-(thiadiazol-4-yl)phenyl]acetamide has a molecular weight of 322.60 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-[4-(thiadiazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 2739182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).