6-(5-chloro-2-fluorophenyl)-3-(thiolan-2-yl)pyridazin-4-amine

C14H13ClFN3S — CID 168985205

IUPAC6-(5-chloro-2-fluorophenyl)-3-(thiolan-2-yl)pyridazin-4-amine
SMILESNc1cc(-c2cc(Cl)ccc2F)nnc1C1CCCS1
InChIInChI=1S/C14H13ClFN3S/c15-8-3-4-10(16)9(6-8)12-7-11(17)14(19-18-12)13-2-1-5-20-13/h3-4,6-7,13H,1-2,5H2,(H2,17,18)
InChIKeyPRWGMSRUBGHKHE-UHFFFAOYSA-N
MW309.80 g/mol
LogP4.09
Rot. Bonds2

About 6-(5-chloro-2-fluorophenyl)-3-(thiolan-2-yl)pyridazin-4-amine

6-(5-chloro-2-fluorophenyl)-3-(thiolan-2-yl)pyridazin-4-amine (PubChem CID 168985205) has the molecular formula C14H13ClFN3S and a molecular weight of 309.80 g/mol. Its IUPAC name is 6-(5-chloro-2-fluorophenyl)-3-(thiolan-2-yl)pyridazin-4-amine.

Molecular Properties

Compound Name6-(5-chloro-2-fluorophenyl)-3-(thiolan-2-yl)pyridazin-4-amine
PubChem CID168985205
Molecular FormulaC14H13ClFN3S
Molecular Weight309.80 g/mol
Exact Mass309.05
IUPAC Name6-(5-chloro-2-fluorophenyl)-3-(thiolan-2-yl)pyridazin-4-amine
SMILESNc1cc(-c2cc(Cl)ccc2F)nnc1C1CCCS1
InChIInChI=1S/C14H13ClFN3S/c15-8-3-4-10(16)9(6-8)12-7-11(17)14(19-18-12)13-2-1-5-20-13/h3-4,6-7,13H,1-2,5H2,(H2,17,18)
InChIKeyPRWGMSRUBGHKHE-UHFFFAOYSA-N
XLogP4.09
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-fluorophenyl)-3-(thiolan-2-yl)pyridazin-4-amine?
The IUPAC name of 6-(5-chloro-2-fluorophenyl)-3-(thiolan-2-yl)pyridazin-4-amine (CID 168985205) is 6-(5-chloro-2-fluorophenyl)-3-(thiolan-2-yl)pyridazin-4-amine.
What is the SMILES notation for 6-(5-chloro-2-fluorophenyl)-3-(thiolan-2-yl)pyridazin-4-amine?
The canonical SMILES for 6-(5-chloro-2-fluorophenyl)-3-(thiolan-2-yl)pyridazin-4-amine is Nc1cc(-c2cc(Cl)ccc2F)nnc1C1CCCS1.
What is the InChIKey of 6-(5-chloro-2-fluorophenyl)-3-(thiolan-2-yl)pyridazin-4-amine?
The InChIKey is PRWGMSRUBGHKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3S/c15-8-3-4-10(16)9(6-8)12-7-11(17)14(19-18-12)13-2-1-5-20-13/h3-4,6-7,13H,1-2,5H2,(H2,17,18).
What are the key properties of 6-(5-chloro-2-fluorophenyl)-3-(thiolan-2-yl)pyridazin-4-amine?
6-(5-chloro-2-fluorophenyl)-3-(thiolan-2-yl)pyridazin-4-amine has a molecular weight of 309.80 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-fluorophenyl)-3-(thiolan-2-yl)pyridazin-4-amine is sourced from PubChem (CID 168985205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).