2,2,2-trifluoro-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]acetamide

C7H4F6N2OS — CID 153306443

IUPAC2,2,2-trifluoro-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]acetamide
SMILESO=C(NCc1cnc(C(F)(F)F)s1)C(F)(F)F
InChIInChI=1S/C7H4F6N2OS/c8-6(9,10)4(16)14-1-3-2-15-5(17-3)7(11,12)13/h2H,1H2,(H,14,16)
InChIKeyDSCWHYFLQZUQSD-UHFFFAOYSA-N
MW278.18 g/mol
LogP2.34
Rot. Bonds2

About 2,2,2-trifluoro-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]acetamide

2,2,2-trifluoro-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]acetamide (PubChem CID 153306443) has the molecular formula C7H4F6N2OS and a molecular weight of 278.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]acetamide
PubChem CID153306443
Molecular FormulaC7H4F6N2OS
Molecular Weight278.18 g/mol
Exact Mass277.99
IUPAC Name2,2,2-trifluoro-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]acetamide
SMILESO=C(NCc1cnc(C(F)(F)F)s1)C(F)(F)F
InChIInChI=1S/C7H4F6N2OS/c8-6(9,10)4(16)14-1-3-2-15-5(17-3)7(11,12)13/h2H,1H2,(H,14,16)
InChIKeyDSCWHYFLQZUQSD-UHFFFAOYSA-N
XLogP2.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 19046697
1-[2-(Difluoromethyl)-1,3-thiazol-5-yl]methanamine hydrochloride
CID 165691597
N-[(1,3-thiazol-5-yl)methyl]acetamide
CID 59473071
2-(Trifluoromethyl)thiazole-5-carboxamide
CID 17905008
2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 58458786
2,2,2-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 60776622
2-(Difluoromethyl)-1,3-thiazole-5-carboxamide
CID 67240227
N-(difluoromethyl)-1,3-thiazole-5-carboxamide
CID 67240228
N-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 68738967
N'-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 70458500
N'-[[2-(trifluoromethoxy)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 70458519
5-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide
CID 70669497

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]acetamide (CID 153306443) is 2,2,2-trifluoro-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]acetamide is O=C(NCc1cnc(C(F)(F)F)s1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]acetamide?
The InChIKey is DSCWHYFLQZUQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F6N2OS/c8-6(9,10)4(16)14-1-3-2-15-5(17-3)7(11,12)13/h2H,1H2,(H,14,16).
What are the key properties of 2,2,2-trifluoro-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]acetamide?
2,2,2-trifluoro-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]acetamide has a molecular weight of 278.18 g/mol, XLogP of 2.34, 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-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]acetamide is sourced from PubChem (CID 153306443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).