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

C12H17F3N2O2S — CID 80574851

IUPACethyl 2-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCCN(CC(F)(F)F)c1nc(CC(=O)OCC)cs1
InChIInChI=1S/C12H17F3N2O2S/c1-3-5-17(8-12(13,14)15)11-16-9(7-20-11)6-10(18)19-4-2/h7H,3-6,8H2,1-2H3
InChIKeyMGWPYFCVMHGXBK-UHFFFAOYSA-N
MW310.34 g/mol
LogP3.03
Rot. Bonds7

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

ethyl 2-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 80574851) has the molecular formula C12H17F3N2O2S and a molecular weight of 310.34 g/mol. Its IUPAC name is ethyl 2-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID80574851
Molecular FormulaC12H17F3N2O2S
Molecular Weight310.34 g/mol
Exact Mass310.10
IUPAC Nameethyl 2-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCCN(CC(F)(F)F)c1nc(CC(=O)OCC)cs1
InChIInChI=1S/C12H17F3N2O2S/c1-3-5-17(8-12(13,14)15)11-16-9(7-20-11)6-10(18)19-4-2/h7H,3-6,8H2,1-2H3
InChIKeyMGWPYFCVMHGXBK-UHFFFAOYSA-N
XLogP3.03
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate (CID 80574851) is ethyl 2-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate is CCCN(CC(F)(F)F)c1nc(CC(=O)OCC)cs1.
What is the InChIKey of ethyl 2-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is MGWPYFCVMHGXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2S/c1-3-5-17(8-12(13,14)15)11-16-9(7-20-11)6-10(18)19-4-2/h7H,3-6,8H2,1-2H3.
What are the key properties of ethyl 2-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 310.34 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80574851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).