2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C14H13F3N4O2S — CID 55875549

IUPAC2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)Cn2nc(C3CC3)cc(C(F)(F)F)c2=O)n1
InChIInChI=1S/C14H13F3N4O2S/c1-7-6-24-13(18-7)19-11(22)5-21-12(23)9(14(15,16)17)4-10(20-21)8-2-3-8/h4,6,8H,2-3,5H2,1H3,(H,18,19,22)
InChIKeyKERPEDLUCYJBER-UHFFFAOYSA-N
MW358.35 g/mol
LogP2.54
Rot. Bonds4

About 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 55875549) has the molecular formula C14H13F3N4O2S and a molecular weight of 358.35 g/mol. Its IUPAC name is 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID55875549
Molecular FormulaC14H13F3N4O2S
Molecular Weight358.35 g/mol
Exact Mass358.07
IUPAC Name2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)Cn2nc(C3CC3)cc(C(F)(F)F)c2=O)n1
InChIInChI=1S/C14H13F3N4O2S/c1-7-6-24-13(18-7)19-11(22)5-21-12(23)9(14(15,16)17)4-10(20-21)8-2-3-8/h4,6,8H,2-3,5H2,1H3,(H,18,19,22)
InChIKeyKERPEDLUCYJBER-UHFFFAOYSA-N
XLogP2.54
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 55875549) is 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)Cn2nc(C3CC3)cc(C(F)(F)F)c2=O)n1.
What is the InChIKey of 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is KERPEDLUCYJBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O2S/c1-7-6-24-13(18-7)19-11(22)5-21-12(23)9(14(15,16)17)4-10(20-21)8-2-3-8/h4,6,8H,2-3,5H2,1H3,(H,18,19,22).
What are the key properties of 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 358.35 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 55875549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).