N-ethyl-2-(methoxymethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide

C10H13F3N2O2S — CID 86847548

IUPACN-ethyl-2-(methoxymethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1csc(COC)n1
InChIInChI=1S/C10H13F3N2O2S/c1-3-15(6-10(11,12)13)9(16)7-5-18-8(14-7)4-17-2/h5H,3-4,6H2,1-2H3
InChIKeyLEBWHNGEBKMFOH-UHFFFAOYSA-N
MW282.29 g/mol
LogP2.31
Rot. Bonds5

About N-ethyl-2-(methoxymethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide

N-ethyl-2-(methoxymethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide (PubChem CID 86847548) has the molecular formula C10H13F3N2O2S and a molecular weight of 282.29 g/mol. Its IUPAC name is N-ethyl-2-(methoxymethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(methoxymethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
PubChem CID86847548
Molecular FormulaC10H13F3N2O2S
Molecular Weight282.29 g/mol
Exact Mass282.06
IUPAC NameN-ethyl-2-(methoxymethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1csc(COC)n1
InChIInChI=1S/C10H13F3N2O2S/c1-3-15(6-10(11,12)13)9(16)7-5-18-8(14-7)4-17-2/h5H,3-4,6H2,1-2H3
InChIKeyLEBWHNGEBKMFOH-UHFFFAOYSA-N
XLogP2.31
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(methoxymethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-ethyl-2-(methoxymethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide (CID 86847548) is N-ethyl-2-(methoxymethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-ethyl-2-(methoxymethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-ethyl-2-(methoxymethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide is CCN(CC(F)(F)F)C(=O)c1csc(COC)n1.
What is the InChIKey of N-ethyl-2-(methoxymethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is LEBWHNGEBKMFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S/c1-3-15(6-10(11,12)13)9(16)7-5-18-8(14-7)4-17-2/h5H,3-4,6H2,1-2H3.
What are the key properties of N-ethyl-2-(methoxymethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
N-ethyl-2-(methoxymethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 282.29 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(methoxymethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 86847548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).