2,2,2-trifluoro-N-(1,3-thiazol-2-ylmethyl)acetamide

C6H5F3N2OS — CID 62492184

IUPAC2,2,2-trifluoro-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESO=C(NCc1nccs1)C(F)(F)F
InChIInChI=1S/C6H5F3N2OS/c7-6(8,9)5(12)11-3-4-10-1-2-13-4/h1-2H,3H2,(H,11,12)
InChIKeyKHKGDHVSRDQAAN-UHFFFAOYSA-N
MW210.18 g/mol
LogP1.32
Rot. Bonds2

About 2,2,2-trifluoro-N-(1,3-thiazol-2-ylmethyl)acetamide

2,2,2-trifluoro-N-(1,3-thiazol-2-ylmethyl)acetamide (PubChem CID 62492184) has the molecular formula C6H5F3N2OS and a molecular weight of 210.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1,3-thiazol-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1,3-thiazol-2-ylmethyl)acetamide
PubChem CID62492184
Molecular FormulaC6H5F3N2OS
Molecular Weight210.18 g/mol
Exact Mass210.01
IUPAC Name2,2,2-trifluoro-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESO=C(NCc1nccs1)C(F)(F)F
InChIInChI=1S/C6H5F3N2OS/c7-6(8,9)5(12)11-3-4-10-1-2-13-4/h1-2H,3H2,(H,11,12)
InChIKeyKHKGDHVSRDQAAN-UHFFFAOYSA-N
XLogP1.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 51.32
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-(1,3-thiazol-2-ylmethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1,3-thiazol-2-ylmethyl)acetamide (CID 62492184) is 2,2,2-trifluoro-N-(1,3-thiazol-2-ylmethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1,3-thiazol-2-ylmethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1,3-thiazol-2-ylmethyl)acetamide is O=C(NCc1nccs1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(1,3-thiazol-2-ylmethyl)acetamide?
The InChIKey is KHKGDHVSRDQAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2OS/c7-6(8,9)5(12)11-3-4-10-1-2-13-4/h1-2H,3H2,(H,11,12).
What are the key properties of 2,2,2-trifluoro-N-(1,3-thiazol-2-ylmethyl)acetamide?
2,2,2-trifluoro-N-(1,3-thiazol-2-ylmethyl)acetamide has a molecular weight of 210.18 g/mol, XLogP of 1.32, 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-(1,3-thiazol-2-ylmethyl)acetamide is sourced from PubChem (CID 62492184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).