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

C7H7F3N2OS — CID 63612919

IUPAC2,2,2-trifluoro-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
SMILESCC(NC(=O)C(F)(F)F)c1nccs1
InChIInChI=1S/C7H7F3N2OS/c1-4(5-11-2-3-14-5)12-6(13)7(8,9)10/h2-4H,1H3,(H,12,13)
InChIKeyBFYFJCTXTHEUQJ-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.88
Rot. Bonds2

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

2,2,2-trifluoro-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide (PubChem CID 63612919) has the molecular formula C7H7F3N2OS and a molecular weight of 224.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
PubChem CID63612919
Molecular FormulaC7H7F3N2OS
Molecular Weight224.21 g/mol
Exact Mass224.02
IUPAC Name2,2,2-trifluoro-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
SMILESCC(NC(=O)C(F)(F)F)c1nccs1
InChIInChI=1S/C7H7F3N2OS/c1-4(5-11-2-3-14-5)12-6(13)7(8,9)10/h2-4H,1H3,(H,12,13)
InChIKeyBFYFJCTXTHEUQJ-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide
CID 71868950
2-[2-(1,3-Thiazol-2-yl)butan-2-ylamino]acetamide
CID 71868956
2,2,2-trifluoro-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 62492184
N-methyl thiazol-2-ylacetamide
CID 11073663
N-tert-butyl-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]acetamide
CID 71986837
(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 97237746
3,3,3-trifluoro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide
CID 122160091
2-(methanesulfonamido)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]acetamide
CID 124573274
1-methyl-1-(1,3-thiazol-2-ylmethyl)-3-[(2S)-1,1,1-trifluoropropan-2-yl]urea
CID 164642240
2-[(N-trifluoroacetylglycyl)amino]methylthiazole
CID 22916669
2-(N-methyl-N-trifluoroacetylaminomethylcarbonyl)aminomethylthiazole
CID 22916734
(2R)-3-methyl-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 53800979

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide (CID 63612919) is 2,2,2-trifluoro-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide is CC(NC(=O)C(F)(F)F)c1nccs1.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide?
The InChIKey is BFYFJCTXTHEUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2OS/c1-4(5-11-2-3-14-5)12-6(13)7(8,9)10/h2-4H,1H3,(H,12,13).
What are the key properties of 2,2,2-trifluoro-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide?
2,2,2-trifluoro-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide has a molecular weight of 224.21 g/mol, XLogP of 1.88, 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-(1,3-thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 63612919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).