2,2,2-trichloro-N-(1,3-thiazol-2-yl)acetamide

C5H3Cl3N2OS — CID 1415429

IUPAC2,2,2-trichloro-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1nccs1)C(Cl)(Cl)Cl
InChIInChI=1S/C5H3Cl3N2OS/c6-5(7,8)3(11)10-4-9-1-2-12-4/h1-2H,(H,9,10,11)
InChIKeyKWVAHFLPHCQYDT-UHFFFAOYSA-N
MW245.52 g/mol
LogP2.45
Rot. Bonds1

About 2,2,2-trichloro-N-(1,3-thiazol-2-yl)acetamide

2,2,2-trichloro-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 1415429) has the molecular formula C5H3Cl3N2OS and a molecular weight of 245.52 g/mol. Its IUPAC name is 2,2,2-trichloro-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-(1,3-thiazol-2-yl)acetamide
PubChem CID1415429
Molecular FormulaC5H3Cl3N2OS
Molecular Weight245.52 g/mol
Exact Mass243.90
IUPAC Name2,2,2-trichloro-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1nccs1)C(Cl)(Cl)Cl
InChIInChI=1S/C5H3Cl3N2OS/c6-5(7,8)3(11)10-4-9-1-2-12-4/h1-2H,(H,9,10,11)
InChIKeyKWVAHFLPHCQYDT-UHFFFAOYSA-N
XLogP2.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.52
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2,2,2-trichloro-N-(1,3-thiazol-2-yl)acetamide (CID 1415429) is 2,2,2-trichloro-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2,2,2-trichloro-N-(1,3-thiazol-2-yl)acetamide is O=C(Nc1nccs1)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is KWVAHFLPHCQYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl3N2OS/c6-5(7,8)3(11)10-4-9-1-2-12-4/h1-2H,(H,9,10,11).
What are the key properties of 2,2,2-trichloro-N-(1,3-thiazol-2-yl)acetamide?
2,2,2-trichloro-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 245.52 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 1415429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).