ethyl 5-(methylamino)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate

C8H9F3N2O2S — CID 155721808

IUPACethyl 5-(methylamino)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C(F)(F)F)sc1NC
InChIInChI=1S/C8H9F3N2O2S/c1-3-15-6(14)4-5(12-2)16-7(13-4)8(9,10)11/h12H,3H2,1-2H3
InChIKeyMXCJPXUVIVLVIS-UHFFFAOYSA-N
MW254.23 g/mol
LogP2.38
Rot. Bonds3

About ethyl 5-(methylamino)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate

ethyl 5-(methylamino)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate (PubChem CID 155721808) has the molecular formula C8H9F3N2O2S and a molecular weight of 254.23 g/mol. Its IUPAC name is ethyl 5-(methylamino)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(methylamino)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
PubChem CID155721808
Molecular FormulaC8H9F3N2O2S
Molecular Weight254.23 g/mol
Exact Mass254.03
IUPAC Nameethyl 5-(methylamino)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C(F)(F)F)sc1NC
InChIInChI=1S/C8H9F3N2O2S/c1-3-15-6(14)4-5(12-2)16-7(13-4)8(9,10)11/h12H,3H2,1-2H3
InChIKeyMXCJPXUVIVLVIS-UHFFFAOYSA-N
XLogP2.38
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 5-amino-1,3-thiazole-4-carboxylate
CID 12620181
Ethyl 5-amino-2-methylthiazole-4-carboxylate
CID 13329095
Methyl 5-(methylamino)-1,3-thiazole-4-carboxylate
CID 12792584
US10752598, Example 14
CID 126482862
US11390631, Example 335
CID 126482463
US11390631, Example 272
CID 126483334
Ethyl 5-(methylamino)-1,3-thiazole-4-carboxylate
CID 54593333
Methyl 2-bromo-5-(methylamino)-1,3-thiazole-4-carboxylate
CID 121393589
Ethyl 5-amino-2-(1-aminoethyl)-1,3-thiazole-4-carboxylate dihydrochloride
CID 138006954
Ethyl 2-methyl-5-(methylamino)thiazole-4-carboxylate
CID 14616139
5-Amino-2-(2-methoxy-ethyl)-thiazole-4-carboxylic acid ethyl ester
CID 68407298
methyl 5-[(3R)-3-methylpiperazin-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 89726179

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(methylamino)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-(methylamino)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate (CID 155721808) is ethyl 5-(methylamino)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(methylamino)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-(methylamino)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(C(F)(F)F)sc1NC.
What is the InChIKey of ethyl 5-(methylamino)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate?
The InChIKey is MXCJPXUVIVLVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2S/c1-3-15-6(14)4-5(12-2)16-7(13-4)8(9,10)11/h12H,3H2,1-2H3.
What are the key properties of ethyl 5-(methylamino)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate?
ethyl 5-(methylamino)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate has a molecular weight of 254.23 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(methylamino)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 155721808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).