N-[1-[6-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-pyridinyl]-2-oxo-4-pyridinyl]-1,3-thiazole-4-carboxamide

C23H17F3N4O3S — CID 90149400

IUPACN-[1-[6-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-pyridinyl]-2-oxo-4-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESCC(O)(c1ccc(C(F)(F)F)cc1)c1cccc(-n2ccc(NC(=O)c3cscn3)cc2=O)n1
InChIInChI=1S/C23H17F3N4O3S/c1-22(33,14-5-7-15(8-6-14)23(24,25)26)18-3-2-4-19(29-18)30-10-9-16(11-20(30)31)28-21(32)17-12-34-13-27-17/h2-13,33H,1H3,(H,28,32)
InChIKeyPKMOIWINVJQUJW-UHFFFAOYSA-N
MW486.48 g/mol
LogP4.22
Rot. Bonds5

About N-[1-[6-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-pyridinyl]-2-oxo-4-pyridinyl]-1,3-thiazole-4-carboxamide

N-[1-[6-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-pyridinyl]-2-oxo-4-pyridinyl]-1,3-thiazole-4-carboxamide (PubChem CID 90149400) has the molecular formula C23H17F3N4O3S and a molecular weight of 486.48 g/mol. Its IUPAC name is N-[1-[6-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-pyridinyl]-2-oxo-4-pyridinyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[6-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-pyridinyl]-2-oxo-4-pyridinyl]-1,3-thiazole-4-carboxamide
PubChem CID90149400
Molecular FormulaC23H17F3N4O3S
Molecular Weight486.48 g/mol
Exact Mass486.10
IUPAC NameN-[1-[6-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-pyridinyl]-2-oxo-4-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESCC(O)(c1ccc(C(F)(F)F)cc1)c1cccc(-n2ccc(NC(=O)c3cscn3)cc2=O)n1
InChIInChI=1S/C23H17F3N4O3S/c1-22(33,14-5-7-15(8-6-14)23(24,25)26)18-3-2-4-19(29-18)30-10-9-16(11-20(30)31)28-21(32)17-12-34-13-27-17/h2-13,33H,1H3,(H,28,32)
InChIKeyPKMOIWINVJQUJW-UHFFFAOYSA-N
XLogP4.22
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.48
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-pyridinyl]-2-oxo-4-pyridinyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-[6-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-pyridinyl]-2-oxo-4-pyridinyl]-1,3-thiazole-4-carboxamide (CID 90149400) is N-[1-[6-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-pyridinyl]-2-oxo-4-pyridinyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-[6-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-pyridinyl]-2-oxo-4-pyridinyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-[6-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-pyridinyl]-2-oxo-4-pyridinyl]-1,3-thiazole-4-carboxamide is CC(O)(c1ccc(C(F)(F)F)cc1)c1cccc(-n2ccc(NC(=O)c3cscn3)cc2=O)n1.
What is the InChIKey of N-[1-[6-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-pyridinyl]-2-oxo-4-pyridinyl]-1,3-thiazole-4-carboxamide?
The InChIKey is PKMOIWINVJQUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O3S/c1-22(33,14-5-7-15(8-6-14)23(24,25)26)18-3-2-4-19(29-18)30-10-9-16(11-20(30)31)28-21(32)17-12-34-13-27-17/h2-13,33H,1H3,(H,28,32).
What are the key properties of N-[1-[6-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-pyridinyl]-2-oxo-4-pyridinyl]-1,3-thiazole-4-carboxamide?
N-[1-[6-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-pyridinyl]-2-oxo-4-pyridinyl]-1,3-thiazole-4-carboxamide has a molecular weight of 486.48 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-pyridinyl]-2-oxo-4-pyridinyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90149400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).