ethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetate

C10H13F3N2O2S — CID 104770695

IUPACethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetate
SMILESCCOC(=O)C(NCC(F)(F)F)c1nc(C)cs1
InChIInChI=1S/C10H13F3N2O2S/c1-3-17-9(16)7(14-5-10(11,12)13)8-15-6(2)4-18-8/h4,7,14H,3,5H2,1-2H3
InChIKeyHEJPKGZRQMIXPA-UHFFFAOYSA-N
MW282.29 g/mol
LogP2.21
Rot. Bonds5

About ethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetate

ethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetate (PubChem CID 104770695) has the molecular formula C10H13F3N2O2S and a molecular weight of 282.29 g/mol. Its IUPAC name is ethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetate
PubChem CID104770695
Molecular FormulaC10H13F3N2O2S
Molecular Weight282.29 g/mol
Exact Mass282.06
IUPAC Nameethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetate
SMILESCCOC(=O)C(NCC(F)(F)F)c1nc(C)cs1
InChIInChI=1S/C10H13F3N2O2S/c1-3-17-9(16)7(14-5-10(11,12)13)8-15-6(2)4-18-8/h4,7,14H,3,5H2,1-2H3
InChIKeyHEJPKGZRQMIXPA-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetate
CID 104770610
ethyl 2-(cyclopentylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 113451366
methyl 2-(2-methylpropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 104770676
ethyl 2-(4-bromoanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 104770653
ethyl 2-(4-chlorophenyl)-2-(2,2,2-trifluoroethylamino)acetate
CID 54892665
ethyl 2-(3-chloroanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 104770636
ethyl 2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-2-phenylacetate
CID 104579188
ethyl 2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 104770658
ethyl 4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-4-oxobutanoate
CID 63022935
2-[2-(dimethylamino)ethylamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 104770262
ethyl 2-(4-bromo-3-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetate
CID 66480988
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
CID 104770728

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetate?
The IUPAC name of ethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetate (CID 104770695) is ethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetate.
What is the SMILES notation for ethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetate?
The canonical SMILES for ethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetate is CCOC(=O)C(NCC(F)(F)F)c1nc(C)cs1.
What is the InChIKey of ethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetate?
The InChIKey is HEJPKGZRQMIXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S/c1-3-17-9(16)7(14-5-10(11,12)13)8-15-6(2)4-18-8/h4,7,14H,3,5H2,1-2H3.
What are the key properties of ethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetate?
ethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetate has a molecular weight of 282.29 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetate is sourced from PubChem (CID 104770695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).