N-[4-[[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C11H9F3N4O2S — CID 75388794

IUPACN-[4-[[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(Cn2nc(C(F)(F)F)ccc2=O)cs1
InChIInChI=1S/C11H9F3N4O2S/c1-6(19)15-10-16-7(5-21-10)4-18-9(20)3-2-8(17-18)11(12,13)14/h2-3,5H,4H2,1H3,(H,15,16,19)
InChIKeyVRYMOIRWVPKNIB-UHFFFAOYSA-N
MW318.28 g/mol
LogP1.73
Rot. Bonds3

About N-[4-[[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[4-[[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 75388794) has the molecular formula C11H9F3N4O2S and a molecular weight of 318.28 g/mol. Its IUPAC name is N-[4-[[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID75388794
Molecular FormulaC11H9F3N4O2S
Molecular Weight318.28 g/mol
Exact Mass318.04
IUPAC NameN-[4-[[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(Cn2nc(C(F)(F)F)ccc2=O)cs1
InChIInChI=1S/C11H9F3N4O2S/c1-6(19)15-10-16-7(5-21-10)4-18-9(20)3-2-8(17-18)11(12,13)14/h2-3,5H,4H2,1H3,(H,15,16,19)
InChIKeyVRYMOIRWVPKNIB-UHFFFAOYSA-N
XLogP1.73
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 75388794) is N-[4-[[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(Cn2nc(C(F)(F)F)ccc2=O)cs1.
What is the InChIKey of N-[4-[[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is VRYMOIRWVPKNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O2S/c1-6(19)15-10-16-7(5-21-10)4-18-9(20)3-2-8(17-18)11(12,13)14/h2-3,5H,4H2,1H3,(H,15,16,19).
What are the key properties of N-[4-[[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 318.28 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 75388794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).