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

C8H9F3N2O2S — CID 53396430

IUPACethyl 2-(methylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC)nc1C(F)(F)F
InChIInChI=1S/C8H9F3N2O2S/c1-3-15-6(14)4-5(8(9,10)11)13-7(12-2)16-4/h3H2,1-2H3,(H,12,13)
InChIKeyNXYDYIPUUQMSDN-UHFFFAOYSA-N
MW254.23 g/mol
LogP2.38
Rot. Bonds3

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

ethyl 2-(methylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (PubChem CID 53396430) has the molecular formula C8H9F3N2O2S and a molecular weight of 254.23 g/mol. Its IUPAC name is ethyl 2-(methylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(methylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
PubChem CID53396430
Molecular FormulaC8H9F3N2O2S
Molecular Weight254.23 g/mol
Exact Mass254.03
IUPAC Nameethyl 2-(methylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC)nc1C(F)(F)F
InChIInChI=1S/C8H9F3N2O2S/c1-3-15-6(14)4-5(8(9,10)11)13-7(12-2)16-4/h3H2,1-2H3,(H,12,13)
InChIKeyNXYDYIPUUQMSDN-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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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(methylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (CID 53396430) is ethyl 2-(methylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(methylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(methylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC)nc1C(F)(F)F.
What is the InChIKey of ethyl 2-(methylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The InChIKey is NXYDYIPUUQMSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2S/c1-3-15-6(14)4-5(8(9,10)11)13-7(12-2)16-4/h3H2,1-2H3,(H,12,13).
What are the key properties of ethyl 2-(methylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
ethyl 2-(methylamino)-4-(trifluoromethyl)-1,3-thiazole-5-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 2-(methylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 53396430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).