2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide

C21H21F3N4O2S — CID 55833366

IUPAC2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
SMILESCCOc1ccccc1-c1nc(CC(=O)NCCNc2ncccc2C(F)(F)F)cs1
InChIInChI=1S/C21H21F3N4O2S/c1-2-30-17-8-4-3-6-15(17)20-28-14(13-31-20)12-18(29)25-10-11-27-19-16(21(22,23)24)7-5-9-26-19/h3-9,13H,2,10-12H2,1H3,(H,25,29)(H,26,27)
InChIKeyOWVQQCDFXDFTLC-UHFFFAOYSA-N
MW450.49 g/mol
LogP4.39
Rot. Bonds9

About 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide

2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide (PubChem CID 55833366) has the molecular formula C21H21F3N4O2S and a molecular weight of 450.49 g/mol. Its IUPAC name is 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
PubChem CID55833366
Molecular FormulaC21H21F3N4O2S
Molecular Weight450.49 g/mol
Exact Mass450.13
IUPAC Name2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
SMILESCCOc1ccccc1-c1nc(CC(=O)NCCNc2ncccc2C(F)(F)F)cs1
InChIInChI=1S/C21H21F3N4O2S/c1-2-30-17-8-4-3-6-15(17)20-28-14(13-31-20)12-18(29)25-10-11-27-19-16(21(22,23)24)7-5-9-26-19/h3-9,13H,2,10-12H2,1H3,(H,25,29)(H,26,27)
InChIKeyOWVQQCDFXDFTLC-UHFFFAOYSA-N
XLogP4.39
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 18137419
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 16591047
N-[4-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 24644210
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 16590476
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(1-phenylethoxy)propyl]acetamide
CID 46536784
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylbutan-2-yl)acetamide
CID 43039088
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-quinolin-5-ylacetamide
CID 16594941
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 16601830
methyl 4-[[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]benzoate
CID 55485977
2-thiophen-2-yl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 51090526
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 18138820
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 16596855

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
The IUPAC name of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide (CID 55833366) is 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide.
What is the SMILES notation for 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
The canonical SMILES for 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide is CCOc1ccccc1-c1nc(CC(=O)NCCNc2ncccc2C(F)(F)F)cs1.
What is the InChIKey of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
The InChIKey is OWVQQCDFXDFTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O2S/c1-2-30-17-8-4-3-6-15(17)20-28-14(13-31-20)12-18(29)25-10-11-27-19-16(21(22,23)24)7-5-9-26-19/h3-9,13H,2,10-12H2,1H3,(H,25,29)(H,26,27).
What are the key properties of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide has a molecular weight of 450.49 g/mol, XLogP of 4.39, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide is sourced from PubChem (CID 55833366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).