ethyl 2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate

C12H17F3N2O2S — CID 80574823

IUPACethyl 2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(N(CC(F)(F)F)C(C)C)n1
InChIInChI=1S/C12H17F3N2O2S/c1-4-19-10(18)5-9-6-20-11(16-9)17(8(2)3)7-12(13,14)15/h6,8H,4-5,7H2,1-3H3
InChIKeyRYKFTEUYINLLIH-UHFFFAOYSA-N
MW310.34 g/mol
LogP3.03
Rot. Bonds6

About ethyl 2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 80574823) has the molecular formula C12H17F3N2O2S and a molecular weight of 310.34 g/mol. Its IUPAC name is ethyl 2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID80574823
Molecular FormulaC12H17F3N2O2S
Molecular Weight310.34 g/mol
Exact Mass310.10
IUPAC Nameethyl 2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(N(CC(F)(F)F)C(C)C)n1
InChIInChI=1S/C12H17F3N2O2S/c1-4-19-10(18)5-9-6-20-11(16-9)17(8(2)3)7-12(13,14)15/h6,8H,4-5,7H2,1-3H3
InChIKeyRYKFTEUYINLLIH-UHFFFAOYSA-N
XLogP3.03
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-[2-cyanoethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetate
CID 80575808
ethyl 2-[2-[methyl(3,3,3-trifluoropropyl)amino]-1,3-thiazol-4-yl]acetate
CID 80576648
ethyl 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate
CID 10727325
ethyl 3-[2-[ethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]propanoate
CID 103486127
2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568911
ethyl 2-[2-(4-fluoro-N-methylanilino)-1,3-thiazol-4-yl]acetate
CID 80575049
ethyl 3-[2-[pentyl(propan-2-yl)amino]-1,3-thiazol-4-yl]propanoate
CID 103486910
ethyl 2-[2-(N,3,5-trimethylanilino)-1,3-thiazol-4-yl]acetate
CID 80574171
ethyl 2-[2-(2-aminopropan-2-yl)-1,3-thiazol-4-yl]acetate
CID 107380027
ethyl 2-[2-(4-methylpentan-2-ylamino)-1,3-thiazol-4-yl]acetate
CID 80574798
ethyl 2-[2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-4-yl]acetate
CID 102998732
ethyl 2-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 43624476

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate (CID 80574823) is ethyl 2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(N(CC(F)(F)F)C(C)C)n1.
What is the InChIKey of ethyl 2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is RYKFTEUYINLLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2S/c1-4-19-10(18)5-9-6-20-11(16-9)17(8(2)3)7-12(13,14)15/h6,8H,4-5,7H2,1-3H3.
What are the key properties of ethyl 2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 310.34 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80574823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).