2,2,2-trifluoro-N-(5-fluoro-1,3-thiazol-2-yl)acetamide

C5H2F4N2OS — CID 21094211

IUPAC2,2,2-trifluoro-N-(5-fluoro-1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1ncc(F)s1)C(F)(F)F
InChIInChI=1S/C5H2F4N2OS/c6-2-1-10-4(13-2)11-3(12)5(7,8)9/h1H,(H,10,11,12)
InChIKeyKTRCRNUZEIZGGW-UHFFFAOYSA-N
MW214.14 g/mol
LogP1.78
Rot. Bonds1

About 2,2,2-trifluoro-N-(5-fluoro-1,3-thiazol-2-yl)acetamide

2,2,2-trifluoro-N-(5-fluoro-1,3-thiazol-2-yl)acetamide (PubChem CID 21094211) has the molecular formula C5H2F4N2OS and a molecular weight of 214.14 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(5-fluoro-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(5-fluoro-1,3-thiazol-2-yl)acetamide
PubChem CID21094211
Molecular FormulaC5H2F4N2OS
Molecular Weight214.14 g/mol
Exact Mass213.98
IUPAC Name2,2,2-trifluoro-N-(5-fluoro-1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1ncc(F)s1)C(F)(F)F
InChIInChI=1S/C5H2F4N2OS/c6-2-1-10-4(13-2)11-3(12)5(7,8)9/h1H,(H,10,11,12)
InChIKeyKTRCRNUZEIZGGW-UHFFFAOYSA-N
XLogP1.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.14
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Acetamido-5-bromo-1,3-thiazole
CID 350260
2,2,2-trifluoro-N-(1,3-thiazol-2-yl)acetamide
CID 267659
2-bromo-2,2-difluoro-N-(1,3-thiazol-2-yl)acetamide
CID 130671528
N-(5-fluorothiazol-2-yl)acetamide
CID 45121693
N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]acetamide
CID 538728
2-Acetamino-5-thiocyanatothiazole
CID 15346341
S-(2-(Acetylamino)-5-thiazolyl) ethanethioate
CID 22481077
3,3,3-trifluoro-2-methyl-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)propanamide
CID 1906036
2,2,3,3,3-pentafluoro-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 17386520
N-(1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide
CID 45883975
3,3,3-Trifluoro-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)propanamide
CID 567765
N-(5-Bromo-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
CID 21094191

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(5-fluoro-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(5-fluoro-1,3-thiazol-2-yl)acetamide (CID 21094211) is 2,2,2-trifluoro-N-(5-fluoro-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(5-fluoro-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(5-fluoro-1,3-thiazol-2-yl)acetamide is O=C(Nc1ncc(F)s1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(5-fluoro-1,3-thiazol-2-yl)acetamide?
The InChIKey is KTRCRNUZEIZGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F4N2OS/c6-2-1-10-4(13-2)11-3(12)5(7,8)9/h1H,(H,10,11,12).
What are the key properties of 2,2,2-trifluoro-N-(5-fluoro-1,3-thiazol-2-yl)acetamide?
2,2,2-trifluoro-N-(5-fluoro-1,3-thiazol-2-yl)acetamide has a molecular weight of 214.14 g/mol, XLogP of 1.78, 1 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-(5-fluoro-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 21094211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).