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

C8H9F3N2O2S — CID 81339949

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)acetamide
SMILESCc1nc(CC(=O)NOCC(F)(F)F)cs1
InChIInChI=1S/C8H9F3N2O2S/c1-5-12-6(3-16-5)2-7(14)13-15-4-8(9,10)11/h3H,2,4H2,1H3,(H,13,14)
InChIKeyIKCSUCBJOCVCKD-UHFFFAOYSA-N
MW254.23 g/mol
LogP1.60
Rot. Bonds4

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

2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 81339949) has the molecular formula C8H9F3N2O2S and a molecular weight of 254.23 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)acetamide
PubChem CID81339949
Molecular FormulaC8H9F3N2O2S
Molecular Weight254.23 g/mol
Exact Mass254.03
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)acetamide
SMILESCc1nc(CC(=O)NOCC(F)(F)F)cs1
InChIInChI=1S/C8H9F3N2O2S/c1-5-12-6(3-16-5)2-7(14)13-15-4-8(9,10)11/h3H,2,4H2,1H3,(H,13,14)
InChIKeyIKCSUCBJOCVCKD-UHFFFAOYSA-N
XLogP1.60
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)acetamide (CID 81339949) is 2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)acetamide is Cc1nc(CC(=O)NOCC(F)(F)F)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is IKCSUCBJOCVCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2S/c1-5-12-6(3-16-5)2-7(14)13-15-4-8(9,10)11/h3H,2,4H2,1H3,(H,13,14).
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)acetamide?
2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 254.23 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 81339949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).