2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

C9H10ClF3N2OS — CID 60890841

IUPAC2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)Cc1nc(CCl)cs1
InChIInChI=1S/C9H10ClF3N2OS/c1-15(5-9(11,12)13)8(16)2-7-14-6(3-10)4-17-7/h4H,2-3,5H2,1H3
InChIKeyGKAOBXHTNARZNR-UHFFFAOYSA-N
MW286.71 g/mol
LogP2.45
Rot. Bonds4

About 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60890841) has the molecular formula C9H10ClF3N2OS and a molecular weight of 286.71 g/mol. Its IUPAC name is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60890841
Molecular FormulaC9H10ClF3N2OS
Molecular Weight286.71 g/mol
Exact Mass286.02
IUPAC Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)Cc1nc(CCl)cs1
InChIInChI=1S/C9H10ClF3N2OS/c1-15(5-9(11,12)13)8(16)2-7-14-6(3-10)4-17-7/h4H,2-3,5H2,1H3
InChIKeyGKAOBXHTNARZNR-UHFFFAOYSA-N
XLogP2.45
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.71
LogP ≤ 52.45
H-Bond Donors ≤ 50
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-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 60890841) is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(F)(F)F)C(=O)Cc1nc(CCl)cs1.
What is the InChIKey of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is GKAOBXHTNARZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2OS/c1-15(5-9(11,12)13)8(16)2-7-14-6(3-10)4-17-7/h4H,2-3,5H2,1H3.
What are the key properties of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 286.71 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60890841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).