2-(2-methoxyethoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide

C11H15F3N2O3S — CID 60581330

IUPAC2-(2-methoxyethoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOCCOCC(=O)N(CC(F)(F)F)c1nc(C)cs1
InChIInChI=1S/C11H15F3N2O3S/c1-8-6-20-10(15-8)16(7-11(12,13)14)9(17)5-19-4-3-18-2/h6H,3-5,7H2,1-2H3
InChIKeyFDPJCWMDKSCUPT-UHFFFAOYSA-N
MW312.31 g/mol
LogP2.01
Rot. Bonds7

About 2-(2-methoxyethoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(2-methoxyethoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60581330) has the molecular formula C11H15F3N2O3S and a molecular weight of 312.31 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60581330
Molecular FormulaC11H15F3N2O3S
Molecular Weight312.31 g/mol
Exact Mass312.08
IUPAC Name2-(2-methoxyethoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOCCOCC(=O)N(CC(F)(F)F)c1nc(C)cs1
InChIInChI=1S/C11H15F3N2O3S/c1-8-6-20-10(15-8)16(7-11(12,13)14)9(17)5-19-4-3-18-2/h6H,3-5,7H2,1-2H3
InChIKeyFDPJCWMDKSCUPT-UHFFFAOYSA-N
XLogP2.01
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 52.01
H-Bond Donors ≤ 50
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-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 60581330) is 2-(2-methoxyethoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide is COCCOCC(=O)N(CC(F)(F)F)c1nc(C)cs1.
What is the InChIKey of 2-(2-methoxyethoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is FDPJCWMDKSCUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3S/c1-8-6-20-10(15-8)16(7-11(12,13)14)9(17)5-19-4-3-18-2/h6H,3-5,7H2,1-2H3.
What are the key properties of 2-(2-methoxyethoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-methoxyethoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 312.31 g/mol, XLogP of 2.01, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60581330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).