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

C10H13F3N2O2S — CID 80574623

IUPACethyl 2-[2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(N(C)CC(F)(F)F)n1
InChIInChI=1S/C10H13F3N2O2S/c1-3-17-8(16)4-7-5-18-9(14-7)15(2)6-10(11,12)13/h5H,3-4,6H2,1-2H3
InChIKeyHHSMNIRCWJVOJK-UHFFFAOYSA-N
MW282.29 g/mol
LogP2.25
Rot. Bonds5

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

ethyl 2-[2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 80574623) has the molecular formula C10H13F3N2O2S and a molecular weight of 282.29 g/mol. Its IUPAC name is ethyl 2-[2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID80574623
Molecular FormulaC10H13F3N2O2S
Molecular Weight282.29 g/mol
Exact Mass282.06
IUPAC Nameethyl 2-[2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(N(C)CC(F)(F)F)n1
InChIInChI=1S/C10H13F3N2O2S/c1-3-17-8(16)4-7-5-18-9(14-7)15(2)6-10(11,12)13/h5H,3-4,6H2,1-2H3
InChIKeyHHSMNIRCWJVOJK-UHFFFAOYSA-N
XLogP2.25
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate (CID 80574623) is ethyl 2-[2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(N(C)CC(F)(F)F)n1.
What is the InChIKey of ethyl 2-[2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is HHSMNIRCWJVOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S/c1-3-17-8(16)4-7-5-18-9(14-7)15(2)6-10(11,12)13/h5H,3-4,6H2,1-2H3.
What are the key properties of ethyl 2-[2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 282.29 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80574623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).