2,2,2-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide

C7H7F3N2OS — CID 62729172

IUPAC2,2,2-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide
SMILESCN(Cc1cscn1)C(=O)C(F)(F)F
InChIInChI=1S/C7H7F3N2OS/c1-12(6(13)7(8,9)10)2-5-3-14-4-11-5/h3-4H,2H2,1H3
InChIKeyBZFXHAILWDVZFY-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.66
Rot. Bonds2

About 2,2,2-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide

2,2,2-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide (PubChem CID 62729172) has the molecular formula C7H7F3N2OS and a molecular weight of 224.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide
PubChem CID62729172
Molecular FormulaC7H7F3N2OS
Molecular Weight224.21 g/mol
Exact Mass224.02
IUPAC Name2,2,2-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide
SMILESCN(Cc1cscn1)C(=O)C(F)(F)F
InChIInChI=1S/C7H7F3N2OS/c1-12(6(13)7(8,9)10)2-5-3-14-4-11-5/h3-4H,2H2,1H3
InChIKeyBZFXHAILWDVZFY-UHFFFAOYSA-N
XLogP1.66
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,3,3,3-pentafluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 114038182
2-(aminomethyl)-2-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide
CID 113308943
3,3,3-trifluoro-2-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]propanoic acid
CID 79801832
(2R)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 78974670
N,2,2-trimethyl-N-(1,3-thiazol-4-ylmethyl)propanimidamide
CID 63176433
3,3,3-trifluoro-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]propanoic acid
CID 80996867
3,4,5-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 63189346
2-hydroxyethyl N-methyl-N-(1,3-thiazol-4-ylmethyl)carbamate
CID 79349772
3-amino-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62668943
N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-1-carboxamide
CID 115592952
3-amino-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)butanamide;dihydrochloride
CID 120503373
3-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-one
CID 79395276

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide (CID 62729172) is 2,2,2-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide is CN(Cc1cscn1)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide?
The InChIKey is BZFXHAILWDVZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2OS/c1-12(6(13)7(8,9)10)2-5-3-14-4-11-5/h3-4H,2H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide?
2,2,2-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide has a molecular weight of 224.21 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide is sourced from PubChem (CID 62729172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).