2,2,2-trichloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C6H5Cl3N2OS — CID 4286777

IUPAC2,2,2-trichloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)C(Cl)(Cl)Cl)n1
InChIInChI=1S/C6H5Cl3N2OS/c1-3-2-13-5(10-3)11-4(12)6(7,8)9/h2H,1H3,(H,10,11,12)
InChIKeyKZHNNYPZNCXODK-UHFFFAOYSA-N
MW259.55 g/mol
LogP2.76
Rot. Bonds1

About 2,2,2-trichloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2,2,2-trichloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 4286777) has the molecular formula C6H5Cl3N2OS and a molecular weight of 259.55 g/mol. Its IUPAC name is 2,2,2-trichloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID4286777
Molecular FormulaC6H5Cl3N2OS
Molecular Weight259.55 g/mol
Exact Mass257.92
IUPAC Name2,2,2-trichloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)C(Cl)(Cl)Cl)n1
InChIInChI=1S/C6H5Cl3N2OS/c1-3-2-13-5(10-3)11-4(12)6(7,8)9/h2H,1H3,(H,10,11,12)
InChIKeyKZHNNYPZNCXODK-UHFFFAOYSA-N
XLogP2.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.55
LogP ≤ 52.76
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-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2,2,2-trichloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 4286777) is 2,2,2-trichloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2,2,2-trichloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)C(Cl)(Cl)Cl)n1.
What is the InChIKey of 2,2,2-trichloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is KZHNNYPZNCXODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl3N2OS/c1-3-2-13-5(10-3)11-4(12)6(7,8)9/h2H,1H3,(H,10,11,12).
What are the key properties of 2,2,2-trichloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2,2,2-trichloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 259.55 g/mol, XLogP of 2.76, 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-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 4286777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).