7-(3-tert-butyl-4-fluorophenyl)thieno[2,3-d]pyridazine

C16H15FN2S — CID 175907123

IUPAC7-(3-tert-butyl-4-fluorophenyl)thieno[2,3-d]pyridazine
SMILESCC(C)(C)c1cc(-c2nncc3ccsc23)ccc1F
InChIInChI=1S/C16H15FN2S/c1-16(2,3)12-8-10(4-5-13(12)17)14-15-11(6-7-20-15)9-18-19-14/h4-9H,1-3H3
InChIKeyJGRBYUYOXNVOMZ-UHFFFAOYSA-N
MW286.38 g/mol
LogP4.79
Rot. Bonds1

About 7-(3-tert-butyl-4-fluorophenyl)thieno[2,3-d]pyridazine

7-(3-tert-butyl-4-fluorophenyl)thieno[2,3-d]pyridazine (PubChem CID 175907123) has the molecular formula C16H15FN2S and a molecular weight of 286.38 g/mol. Its IUPAC name is 7-(3-tert-butyl-4-fluorophenyl)thieno[2,3-d]pyridazine.

Molecular Properties

Compound Name7-(3-tert-butyl-4-fluorophenyl)thieno[2,3-d]pyridazine
PubChem CID175907123
Molecular FormulaC16H15FN2S
Molecular Weight286.38 g/mol
Exact Mass286.09
IUPAC Name7-(3-tert-butyl-4-fluorophenyl)thieno[2,3-d]pyridazine
SMILESCC(C)(C)c1cc(-c2nncc3ccsc23)ccc1F
InChIInChI=1S/C16H15FN2S/c1-16(2,3)12-8-10(4-5-13(12)17)14-15-11(6-7-20-15)9-18-19-14/h4-9H,1-3H3
InChIKeyJGRBYUYOXNVOMZ-UHFFFAOYSA-N
XLogP4.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(3-tert-butyl-4-fluorophenyl)thieno[2,3-d]pyridazine?
The IUPAC name of 7-(3-tert-butyl-4-fluorophenyl)thieno[2,3-d]pyridazine (CID 175907123) is 7-(3-tert-butyl-4-fluorophenyl)thieno[2,3-d]pyridazine.
What is the SMILES notation for 7-(3-tert-butyl-4-fluorophenyl)thieno[2,3-d]pyridazine?
The canonical SMILES for 7-(3-tert-butyl-4-fluorophenyl)thieno[2,3-d]pyridazine is CC(C)(C)c1cc(-c2nncc3ccsc23)ccc1F.
What is the InChIKey of 7-(3-tert-butyl-4-fluorophenyl)thieno[2,3-d]pyridazine?
The InChIKey is JGRBYUYOXNVOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2S/c1-16(2,3)12-8-10(4-5-13(12)17)14-15-11(6-7-20-15)9-18-19-14/h4-9H,1-3H3.
What are the key properties of 7-(3-tert-butyl-4-fluorophenyl)thieno[2,3-d]pyridazine?
7-(3-tert-butyl-4-fluorophenyl)thieno[2,3-d]pyridazine has a molecular weight of 286.38 g/mol, XLogP of 4.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-tert-butyl-4-fluorophenyl)thieno[2,3-d]pyridazine is sourced from PubChem (CID 175907123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).