N-[2-oxo-1-[2-[1-[3-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]-4-pyridinyl]-1,3-thiazole-4-carboxamide

C21H16F3N5O2S — CID 74223859

IUPACN-[2-oxo-1-[2-[1-[3-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]-4-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESCC(c1cccc(C(F)(F)F)c1)c1ncc(-n2ccc(NC(=O)c3cscn3)cc2=O)[nH]1
InChIInChI=1S/C21H16F3N5O2S/c1-12(13-3-2-4-14(7-13)21(22,23)24)19-25-9-17(28-19)29-6-5-15(8-18(29)30)27-20(31)16-10-32-11-26-16/h2-12H,1H3,(H,25,28)(H,27,31)
InChIKeyKNZCGSFVJLIXLJ-UHFFFAOYSA-N
MW459.45 g/mol
LogP4.44
Rot. Bonds5

About N-[2-oxo-1-[2-[1-[3-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]-4-pyridinyl]-1,3-thiazole-4-carboxamide

N-[2-oxo-1-[2-[1-[3-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]-4-pyridinyl]-1,3-thiazole-4-carboxamide (PubChem CID 74223859) has the molecular formula C21H16F3N5O2S and a molecular weight of 459.45 g/mol. Its IUPAC name is N-[2-oxo-1-[2-[1-[3-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]-4-pyridinyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-1-[2-[1-[3-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]-4-pyridinyl]-1,3-thiazole-4-carboxamide
PubChem CID74223859
Molecular FormulaC21H16F3N5O2S
Molecular Weight459.45 g/mol
Exact Mass459.10
IUPAC NameN-[2-oxo-1-[2-[1-[3-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]-4-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESCC(c1cccc(C(F)(F)F)c1)c1ncc(-n2ccc(NC(=O)c3cscn3)cc2=O)[nH]1
InChIInChI=1S/C21H16F3N5O2S/c1-12(13-3-2-4-14(7-13)21(22,23)24)19-25-9-17(28-19)29-6-5-15(8-18(29)30)27-20(31)16-10-32-11-26-16/h2-12H,1H3,(H,25,28)(H,27,31)
InChIKeyKNZCGSFVJLIXLJ-UHFFFAOYSA-N
XLogP4.44
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.45
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-1-[2-[1-[3-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]-4-pyridinyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-oxo-1-[2-[1-[3-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]-4-pyridinyl]-1,3-thiazole-4-carboxamide (CID 74223859) is N-[2-oxo-1-[2-[1-[3-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]-4-pyridinyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-oxo-1-[2-[1-[3-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]-4-pyridinyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-oxo-1-[2-[1-[3-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]-4-pyridinyl]-1,3-thiazole-4-carboxamide is CC(c1cccc(C(F)(F)F)c1)c1ncc(-n2ccc(NC(=O)c3cscn3)cc2=O)[nH]1.
What is the InChIKey of N-[2-oxo-1-[2-[1-[3-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]-4-pyridinyl]-1,3-thiazole-4-carboxamide?
The InChIKey is KNZCGSFVJLIXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O2S/c1-12(13-3-2-4-14(7-13)21(22,23)24)19-25-9-17(28-19)29-6-5-15(8-18(29)30)27-20(31)16-10-32-11-26-16/h2-12H,1H3,(H,25,28)(H,27,31).
What are the key properties of N-[2-oxo-1-[2-[1-[3-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]-4-pyridinyl]-1,3-thiazole-4-carboxamide?
N-[2-oxo-1-[2-[1-[3-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]-4-pyridinyl]-1,3-thiazole-4-carboxamide has a molecular weight of 459.45 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-1-[2-[1-[3-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]-4-pyridinyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 74223859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).