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

C7H7F3N2OS — CID 62490774

IUPAC2,2,2-trifluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCc1csc(CNC(=O)C(F)(F)F)n1
InChIInChI=1S/C7H7F3N2OS/c1-4-3-14-5(12-4)2-11-6(13)7(8,9)10/h3H,2H2,1H3,(H,11,13)
InChIKeyOSHQJDNWXHGGLI-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.63
Rot. Bonds2

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

2,2,2-trifluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 62490774) has the molecular formula C7H7F3N2OS and a molecular weight of 224.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
PubChem CID62490774
Molecular FormulaC7H7F3N2OS
Molecular Weight224.21 g/mol
Exact Mass224.02
IUPAC Name2,2,2-trifluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCc1csc(CNC(=O)C(F)(F)F)n1
InChIInChI=1S/C7H7F3N2OS/c1-4-3-14-5(12-4)2-11-6(13)7(8,9)10/h3H,2H2,1H3,(H,11,13)
InChIKeyOSHQJDNWXHGGLI-UHFFFAOYSA-N
XLogP1.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.63
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-methyl-1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide (CID 62490774) is 2,2,2-trifluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide is Cc1csc(CNC(=O)C(F)(F)F)n1.
What is the InChIKey of 2,2,2-trifluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is OSHQJDNWXHGGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2OS/c1-4-3-14-5(12-4)2-11-6(13)7(8,9)10/h3H,2H2,1H3,(H,11,13).
What are the key properties of 2,2,2-trifluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide?
2,2,2-trifluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 224.21 g/mol, XLogP of 1.63, 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-methyl-1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 62490774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).