2-benzyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1,3-thiazole-4-carboxamide

C20H18F3N3O2S — CID 67289119

IUPAC2-benzyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(NC(=O)c1csc(Cc2ccccc2)n1)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C20H18F3N3O2S/c1-13(16-8-7-15(10-24-16)28-12-20(21,22)23)25-19(27)17-11-29-18(26-17)9-14-5-3-2-4-6-14/h2-8,10-11,13H,9,12H2,1H3,(H,25,27)
InChIKeyMRXBDASSPBNPAB-UHFFFAOYSA-N
MW421.44 g/mol
LogP4.56
Rot. Bonds7

About 2-benzyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1,3-thiazole-4-carboxamide

2-benzyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 67289119) has the molecular formula C20H18F3N3O2S and a molecular weight of 421.44 g/mol. Its IUPAC name is 2-benzyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1,3-thiazole-4-carboxamide
PubChem CID67289119
Molecular FormulaC20H18F3N3O2S
Molecular Weight421.44 g/mol
Exact Mass421.11
IUPAC Name2-benzyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(NC(=O)c1csc(Cc2ccccc2)n1)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C20H18F3N3O2S/c1-13(16-8-7-15(10-24-16)28-12-20(21,22)23)25-19(27)17-11-29-18(26-17)9-14-5-3-2-4-6-14/h2-8,10-11,13H,9,12H2,1H3,(H,25,27)
InChIKeyMRXBDASSPBNPAB-UHFFFAOYSA-N
XLogP4.56
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.44
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]quinoxaline-2-carboxamide
CID 67290537
2-benzyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 38766578
4-phenoxy-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide
CID 67290329
N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 87342332
2-(4-phenoxyphenoxy)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 67290582
2-chloro-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 118497793
N-[(1S)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
CID 87340431
N-[(2S)-1-aminopropan-2-yl]-2-benzyl-1,3-thiazole-4-carboxamide
CID 120508270
N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 87342724
(2S)-2-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide
CID 163938857
trans-(1S,2S)-2-phenyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide
CID 146460797
3-pyridin-2-yloxy-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide
CID 67290691

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-benzyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1,3-thiazole-4-carboxamide (CID 67289119) is 2-benzyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-benzyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-benzyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1,3-thiazole-4-carboxamide is CC(NC(=O)c1csc(Cc2ccccc2)n1)c1ccc(OCC(F)(F)F)cn1.
What is the InChIKey of 2-benzyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is MRXBDASSPBNPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2S/c1-13(16-8-7-15(10-24-16)28-12-20(21,22)23)25-19(27)17-11-29-18(26-17)9-14-5-3-2-4-6-14/h2-8,10-11,13H,9,12H2,1H3,(H,25,27).
What are the key properties of 2-benzyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1,3-thiazole-4-carboxamide?
2-benzyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 421.44 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 67289119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).