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

C10H13F3N2O3S — CID 17026118

IUPACethyl 2-(2-methoxyethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NCCOC)nc1C(F)(F)F
InChIInChI=1S/C10H13F3N2O3S/c1-3-18-8(16)6-7(10(11,12)13)15-9(19-6)14-4-5-17-2/h3-5H2,1-2H3,(H,14,15)
InChIKeyRJUSDUDNDKPQNL-UHFFFAOYSA-N
MW298.29 g/mol
LogP2.40
Rot. Bonds6

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

ethyl 2-(2-methoxyethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (PubChem CID 17026118) has the molecular formula C10H13F3N2O3S and a molecular weight of 298.29 g/mol. Its IUPAC name is ethyl 2-(2-methoxyethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-methoxyethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
PubChem CID17026118
Molecular FormulaC10H13F3N2O3S
Molecular Weight298.29 g/mol
Exact Mass298.06
IUPAC Nameethyl 2-(2-methoxyethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NCCOC)nc1C(F)(F)F
InChIInChI=1S/C10H13F3N2O3S/c1-3-18-8(16)6-7(10(11,12)13)15-9(19-6)14-4-5-17-2/h3-5H2,1-2H3,(H,14,15)
InChIKeyRJUSDUDNDKPQNL-UHFFFAOYSA-N
XLogP2.40
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methoxyethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(2-methoxyethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (CID 17026118) is ethyl 2-(2-methoxyethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(2-methoxyethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(2-methoxyethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NCCOC)nc1C(F)(F)F.
What is the InChIKey of ethyl 2-(2-methoxyethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The InChIKey is RJUSDUDNDKPQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O3S/c1-3-18-8(16)6-7(10(11,12)13)15-9(19-6)14-4-5-17-2/h3-5H2,1-2H3,(H,14,15).
What are the key properties of ethyl 2-(2-methoxyethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
ethyl 2-(2-methoxyethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate has a molecular weight of 298.29 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methoxyethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 17026118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).