2,2,2-trifluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide

C8H9F3N2OS — CID 23115829

IUPAC2,2,2-trifluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCC(C)c1csc(NC(=O)C(F)(F)F)n1
InChIInChI=1S/C8H9F3N2OS/c1-4(2)5-3-15-7(12-5)13-6(14)8(9,10)11/h3-4H,1-2H3,(H,12,13,14)
InChIKeyCAGSAAYAJUDGPQ-UHFFFAOYSA-N
MW238.23 g/mol
LogP2.77
Rot. Bonds2

About 2,2,2-trifluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide

2,2,2-trifluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 23115829) has the molecular formula C8H9F3N2OS and a molecular weight of 238.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
PubChem CID23115829
Molecular FormulaC8H9F3N2OS
Molecular Weight238.23 g/mol
Exact Mass238.04
IUPAC Name2,2,2-trifluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCC(C)c1csc(NC(=O)C(F)(F)F)n1
InChIInChI=1S/C8H9F3N2OS/c1-4(2)5-3-15-7(12-5)13-6(14)8(9,10)11/h3-4H,1-2H3,(H,12,13,14)
InChIKeyCAGSAAYAJUDGPQ-UHFFFAOYSA-N
XLogP2.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide (CID 23115829) is 2,2,2-trifluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide is CC(C)c1csc(NC(=O)C(F)(F)F)n1.
What is the InChIKey of 2,2,2-trifluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is CAGSAAYAJUDGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2OS/c1-4(2)5-3-15-7(12-5)13-6(14)8(9,10)11/h3-4H,1-2H3,(H,12,13,14).
What are the key properties of 2,2,2-trifluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide?
2,2,2-trifluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 238.23 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 23115829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).