2-[3-[5-(5-chloro-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide

C18H15ClFN5O2S — CID 168762780

IUPAC2-[3-[5-(5-chloro-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide
SMILESO=C(Cn1nc(-c2nnc(-c3cc(Cl)ccc3F)s2)ccc1=O)NC1CCC1
InChIInChI=1S/C18H15ClFN5O2S/c19-10-4-5-13(20)12(8-10)17-22-23-18(28-17)14-6-7-16(27)25(24-14)9-15(26)21-11-2-1-3-11/h4-8,11H,1-3,9H2,(H,21,26)
InChIKeyIBVAKTFRYGUARN-UHFFFAOYSA-N
MW419.87 g/mol
LogP2.89
Rot. Bonds5

About 2-[3-[5-(5-chloro-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide

2-[3-[5-(5-chloro-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide (PubChem CID 168762780) has the molecular formula C18H15ClFN5O2S and a molecular weight of 419.87 g/mol. Its IUPAC name is 2-[3-[5-(5-chloro-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide.

Molecular Properties

Compound Name2-[3-[5-(5-chloro-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide
PubChem CID168762780
Molecular FormulaC18H15ClFN5O2S
Molecular Weight419.87 g/mol
Exact Mass419.06
IUPAC Name2-[3-[5-(5-chloro-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide
SMILESO=C(Cn1nc(-c2nnc(-c3cc(Cl)ccc3F)s2)ccc1=O)NC1CCC1
InChIInChI=1S/C18H15ClFN5O2S/c19-10-4-5-13(20)12(8-10)17-22-23-18(28-17)14-6-7-16(27)25(24-14)9-15(26)21-11-2-1-3-11/h4-8,11H,1-3,9H2,(H,21,26)
InChIKeyIBVAKTFRYGUARN-UHFFFAOYSA-N
XLogP2.89
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(5-chloro-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide?
The IUPAC name of 2-[3-[5-(5-chloro-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide (CID 168762780) is 2-[3-[5-(5-chloro-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide.
What is the SMILES notation for 2-[3-[5-(5-chloro-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide?
The canonical SMILES for 2-[3-[5-(5-chloro-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide is O=C(Cn1nc(-c2nnc(-c3cc(Cl)ccc3F)s2)ccc1=O)NC1CCC1.
What is the InChIKey of 2-[3-[5-(5-chloro-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide?
The InChIKey is IBVAKTFRYGUARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN5O2S/c19-10-4-5-13(20)12(8-10)17-22-23-18(28-17)14-6-7-16(27)25(24-14)9-15(26)21-11-2-1-3-11/h4-8,11H,1-3,9H2,(H,21,26).
What are the key properties of 2-[3-[5-(5-chloro-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide?
2-[3-[5-(5-chloro-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide has a molecular weight of 419.87 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(5-chloro-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide is sourced from PubChem (CID 168762780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).