ethyl 2-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)propanoate

C10H13F3N2O2S — CID 64990464

IUPACethyl 2-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)propanoate
SMILESCCOC(=O)C(C)(NCC(F)(F)F)c1nccs1
InChIInChI=1S/C10H13F3N2O2S/c1-3-17-8(16)9(2,7-14-4-5-18-7)15-6-10(11,12)13/h4-5,15H,3,6H2,1-2H3
InChIKeyNOJCHHKGKMVILV-UHFFFAOYSA-N
MW282.29 g/mol
LogP2.07
Rot. Bonds5

About ethyl 2-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)propanoate

ethyl 2-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)propanoate (PubChem CID 64990464) has the molecular formula C10H13F3N2O2S and a molecular weight of 282.29 g/mol. Its IUPAC name is ethyl 2-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)propanoate
PubChem CID64990464
Molecular FormulaC10H13F3N2O2S
Molecular Weight282.29 g/mol
Exact Mass282.06
IUPAC Nameethyl 2-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)propanoate
SMILESCCOC(=O)C(C)(NCC(F)(F)F)c1nccs1
InChIInChI=1S/C10H13F3N2O2S/c1-3-17-8(16)9(2,7-14-4-5-18-7)15-6-10(11,12)13/h4-5,15H,3,6H2,1-2H3
InChIKeyNOJCHHKGKMVILV-UHFFFAOYSA-N
XLogP2.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)propanoate?
The IUPAC name of ethyl 2-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)propanoate (CID 64990464) is ethyl 2-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)propanoate.
What is the SMILES notation for ethyl 2-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)propanoate?
The canonical SMILES for ethyl 2-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)propanoate is CCOC(=O)C(C)(NCC(F)(F)F)c1nccs1.
What is the InChIKey of ethyl 2-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)propanoate?
The InChIKey is NOJCHHKGKMVILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S/c1-3-17-8(16)9(2,7-14-4-5-18-7)15-6-10(11,12)13/h4-5,15H,3,6H2,1-2H3.
What are the key properties of ethyl 2-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)propanoate?
ethyl 2-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)propanoate has a molecular weight of 282.29 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)propanoate is sourced from PubChem (CID 64990464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).