6-oxo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyridazine-3-carboxamide

C9H5F3N4O2S — CID 43069892

IUPAC6-oxo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1nc(C(F)(F)F)cs1)c1ccc(=O)[nH]n1
InChIInChI=1S/C9H5F3N4O2S/c10-9(11,12)5-3-19-8(13-5)14-7(18)4-1-2-6(17)16-15-4/h1-3H,(H,16,17)(H,13,14,18)
InChIKeyXQYYRQSPWRDKTQ-UHFFFAOYSA-N
MW290.23 g/mol
LogP1.50
Rot. Bonds2

About 6-oxo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyridazine-3-carboxamide

6-oxo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyridazine-3-carboxamide (PubChem CID 43069892) has the molecular formula C9H5F3N4O2S and a molecular weight of 290.23 g/mol. Its IUPAC name is 6-oxo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyridazine-3-carboxamide
PubChem CID43069892
Molecular FormulaC9H5F3N4O2S
Molecular Weight290.23 g/mol
Exact Mass290.01
IUPAC Name6-oxo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1nc(C(F)(F)F)cs1)c1ccc(=O)[nH]n1
InChIInChI=1S/C9H5F3N4O2S/c10-9(11,12)5-3-19-8(13-5)14-7(18)4-1-2-6(17)16-15-4/h1-3H,(H,16,17)(H,13,14,18)
InChIKeyXQYYRQSPWRDKTQ-UHFFFAOYSA-N
XLogP1.50
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyridazine-3-carboxamide (CID 43069892) is 6-oxo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyridazine-3-carboxamide is O=C(Nc1nc(C(F)(F)F)cs1)c1ccc(=O)[nH]n1.
What is the InChIKey of 6-oxo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyridazine-3-carboxamide?
The InChIKey is XQYYRQSPWRDKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N4O2S/c10-9(11,12)5-3-19-8(13-5)14-7(18)4-1-2-6(17)16-15-4/h1-3H,(H,16,17)(H,13,14,18).
What are the key properties of 6-oxo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyridazine-3-carboxamide?
6-oxo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyridazine-3-carboxamide has a molecular weight of 290.23 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 43069892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).