1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one

C10H9F3N4OS — CID 81318911

IUPAC1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one
SMILESNNc1ncc(Cn2c(C(F)(F)F)cccc2=O)s1
InChIInChI=1S/C10H9F3N4OS/c11-10(12,13)7-2-1-3-8(18)17(7)5-6-4-15-9(16-14)19-6/h1-4H,5,14H2,(H,15,16)
InChIKeyPVFVQJAEOZZVGO-UHFFFAOYSA-N
MW290.27 g/mol
LogP1.66
Rot. Bonds3

About 1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one

1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81318911) has the molecular formula C10H9F3N4OS and a molecular weight of 290.27 g/mol. Its IUPAC name is 1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one
PubChem CID81318911
Molecular FormulaC10H9F3N4OS
Molecular Weight290.27 g/mol
Exact Mass290.04
IUPAC Name1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one
SMILESNNc1ncc(Cn2c(C(F)(F)F)cccc2=O)s1
InChIInChI=1S/C10H9F3N4OS/c11-10(12,13)7-2-1-3-8(18)17(7)5-6-4-15-9(16-14)19-6/h1-4H,5,14H2,(H,15,16)
InChIKeyPVFVQJAEOZZVGO-UHFFFAOYSA-N
XLogP1.66
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one (CID 81318911) is 1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one is NNc1ncc(Cn2c(C(F)(F)F)cccc2=O)s1.
What is the InChIKey of 1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is PVFVQJAEOZZVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4OS/c11-10(12,13)7-2-1-3-8(18)17(7)5-6-4-15-9(16-14)19-6/h1-4H,5,14H2,(H,15,16).
What are the key properties of 1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one?
1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 290.27 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81318911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).