2-(2-methoxyethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide

C9H11F3N2O3S — CID 78863568

IUPAC2-(2-methoxyethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
SMILESCOCCOCC(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C9H11F3N2O3S/c1-16-2-3-17-4-7(15)14-8-13-6(5-18-8)9(10,11)12/h5H,2-4H2,1H3,(H,13,14,15)
InChIKeyRVSPQMSAHTYGOL-UHFFFAOYSA-N
MW284.26 g/mol
LogP1.76
Rot. Bonds6

About 2-(2-methoxyethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide

2-(2-methoxyethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 78863568) has the molecular formula C9H11F3N2O3S and a molecular weight of 284.26 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID78863568
Molecular FormulaC9H11F3N2O3S
Molecular Weight284.26 g/mol
Exact Mass284.04
IUPAC Name2-(2-methoxyethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
SMILESCOCCOCC(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C9H11F3N2O3S/c1-16-2-3-17-4-7(15)14-8-13-6(5-18-8)9(10,11)12/h5H,2-4H2,1H3,(H,13,14,15)
InChIKeyRVSPQMSAHTYGOL-UHFFFAOYSA-N
XLogP1.76
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-(2-methoxyethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide (CID 78863568) is 2-(2-methoxyethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide is COCCOCC(=O)Nc1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-(2-methoxyethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is RVSPQMSAHTYGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O3S/c1-16-2-3-17-4-7(15)14-8-13-6(5-18-8)9(10,11)12/h5H,2-4H2,1H3,(H,13,14,15).
What are the key properties of 2-(2-methoxyethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
2-(2-methoxyethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 284.26 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 78863568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).