2-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide

C8H6F6N2O2S — CID 78876267

IUPAC2-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(COCC(F)(F)F)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C8H6F6N2O2S/c9-7(10,11)3-18-1-5(17)16-6-15-4(2-19-6)8(12,13)14/h2H,1,3H2,(H,15,16,17)
InChIKeyQLQRTACAHRFPBY-UHFFFAOYSA-N
MW308.20 g/mol
LogP2.68
Rot. Bonds4

About 2-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide

2-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 78876267) has the molecular formula C8H6F6N2O2S and a molecular weight of 308.20 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID78876267
Molecular FormulaC8H6F6N2O2S
Molecular Weight308.20 g/mol
Exact Mass308.01
IUPAC Name2-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(COCC(F)(F)F)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C8H6F6N2O2S/c9-7(10,11)3-18-1-5(17)16-6-15-4(2-19-6)8(12,13)14/h2H,1,3H2,(H,15,16,17)
InChIKeyQLQRTACAHRFPBY-UHFFFAOYSA-N
XLogP2.68
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Acetamide, N-(4-(trifluoromethyl)-2-thiazolyl)-
CID 1229692
2,2,2-Trifluoro-N-[4-(trifluoromethyl)-2-thiazolyl]acetamide
CID 15710699
Ethyl 2-[(4-methyl-2-thiazolyl)amino]-2-oxoacetate
CID 2914163
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 45894288
(2-Acetamido-1,3-thiazol-4-yl)methyl hypofluorite
CID 143262570
N-[4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 155193876
N-(4-methyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 45802599
2-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 48856156
2-(2-methoxyethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 78863568
2-methoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 78863621
3-propan-2-yloxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 78865887
2-methylsulfanyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 78866514

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide (CID 78876267) is 2-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide is O=C(COCC(F)(F)F)Nc1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is QLQRTACAHRFPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F6N2O2S/c9-7(10,11)3-18-1-5(17)16-6-15-4(2-19-6)8(12,13)14/h2H,1,3H2,(H,15,16,17).
What are the key properties of 2-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
2-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 308.20 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 78876267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).