2-(2-methoxyethoxy)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]acetamide

C16H17F3N2O4S — CID 43047806

IUPAC2-(2-methoxyethoxy)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCOCCOCC(=O)Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1
InChIInChI=1S/C16H17F3N2O4S/c1-23-6-7-24-10-14(22)21-15-20-9-13(26-15)8-11-2-4-12(5-3-11)25-16(17,18)19/h2-5,9H,6-8,10H2,1H3,(H,20,21,22)
InChIKeyCXGFZGSMBZZSAZ-UHFFFAOYSA-N
MW390.38 g/mol
LogP3.23
Rot. Bonds9

About 2-(2-methoxyethoxy)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]acetamide

2-(2-methoxyethoxy)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 43047806) has the molecular formula C16H17F3N2O4S and a molecular weight of 390.38 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID43047806
Molecular FormulaC16H17F3N2O4S
Molecular Weight390.38 g/mol
Exact Mass390.09
IUPAC Name2-(2-methoxyethoxy)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCOCCOCC(=O)Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1
InChIInChI=1S/C16H17F3N2O4S/c1-23-6-7-24-10-14(22)21-15-20-9-13(26-15)8-11-2-4-12(5-3-11)25-16(17,18)19/h2-5,9H,6-8,10H2,1H3,(H,20,21,22)
InChIKeyCXGFZGSMBZZSAZ-UHFFFAOYSA-N
XLogP3.23
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.38
LogP ≤ 53.23
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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Related Compounds

2-(4-methoxyphenyl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 46535725
N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 46535713
4-(acetamidomethyl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 46535692
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 1143617
2-ethoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 18827616
2,4-difluoro-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 46535749
4-(2-acetamidoethyl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 30685595
2-(2-methoxyethoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 103606582
N-[1-oxo-1-[[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]amino]propan-2-yl]furan-2-carboxamide
CID 42942421
2-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 51328951
7-methyl-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 25494728
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)acetamide
CID 2130446

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]acetamide (CID 43047806) is 2-(2-methoxyethoxy)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]acetamide is COCCOCC(=O)Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1.
What is the InChIKey of 2-(2-methoxyethoxy)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is CXGFZGSMBZZSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O4S/c1-23-6-7-24-10-14(22)21-15-20-9-13(26-15)8-11-2-4-12(5-3-11)25-16(17,18)19/h2-5,9H,6-8,10H2,1H3,(H,20,21,22).
What are the key properties of 2-(2-methoxyethoxy)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]acetamide?
2-(2-methoxyethoxy)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 390.38 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 43047806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).