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

C16H14ClFN2S — CID 154634206

IUPAC7-(3-tert-butyl-4-fluorophenyl)-4-chlorothieno[2,3-d]pyridazine
SMILESCC(C)(C)c1cc(-c2nnc(Cl)c3ccsc23)ccc1F
InChIInChI=1S/C16H14ClFN2S/c1-16(2,3)11-8-9(4-5-12(11)18)13-14-10(6-7-21-14)15(17)20-19-13/h4-8H,1-3H3
InChIKeyJODXAJMLUWOCHZ-UHFFFAOYSA-N
MW320.82 g/mol
LogP5.45
Rot. Bonds1

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

7-(3-tert-butyl-4-fluorophenyl)-4-chlorothieno[2,3-d]pyridazine (PubChem CID 154634206) has the molecular formula C16H14ClFN2S and a molecular weight of 320.82 g/mol. Its IUPAC name is 7-(3-tert-butyl-4-fluorophenyl)-4-chlorothieno[2,3-d]pyridazine.

Molecular Properties

Compound Name7-(3-tert-butyl-4-fluorophenyl)-4-chlorothieno[2,3-d]pyridazine
PubChem CID154634206
Molecular FormulaC16H14ClFN2S
Molecular Weight320.82 g/mol
Exact Mass320.06
IUPAC Name7-(3-tert-butyl-4-fluorophenyl)-4-chlorothieno[2,3-d]pyridazine
SMILESCC(C)(C)c1cc(-c2nnc(Cl)c3ccsc23)ccc1F
InChIInChI=1S/C16H14ClFN2S/c1-16(2,3)11-8-9(4-5-12(11)18)13-14-10(6-7-21-14)15(17)20-19-13/h4-8H,1-3H3
InChIKeyJODXAJMLUWOCHZ-UHFFFAOYSA-N
XLogP5.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.82
LogP ≤ 55.45
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)-4-chlorothieno[2,3-d]pyridazine?
The IUPAC name of 7-(3-tert-butyl-4-fluorophenyl)-4-chlorothieno[2,3-d]pyridazine (CID 154634206) is 7-(3-tert-butyl-4-fluorophenyl)-4-chlorothieno[2,3-d]pyridazine.
What is the SMILES notation for 7-(3-tert-butyl-4-fluorophenyl)-4-chlorothieno[2,3-d]pyridazine?
The canonical SMILES for 7-(3-tert-butyl-4-fluorophenyl)-4-chlorothieno[2,3-d]pyridazine is CC(C)(C)c1cc(-c2nnc(Cl)c3ccsc23)ccc1F.
What is the InChIKey of 7-(3-tert-butyl-4-fluorophenyl)-4-chlorothieno[2,3-d]pyridazine?
The InChIKey is JODXAJMLUWOCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2S/c1-16(2,3)11-8-9(4-5-12(11)18)13-14-10(6-7-21-14)15(17)20-19-13/h4-8H,1-3H3.
What are the key properties of 7-(3-tert-butyl-4-fluorophenyl)-4-chlorothieno[2,3-d]pyridazine?
7-(3-tert-butyl-4-fluorophenyl)-4-chlorothieno[2,3-d]pyridazine has a molecular weight of 320.82 g/mol, XLogP of 5.45, 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)-4-chlorothieno[2,3-d]pyridazine is sourced from PubChem (CID 154634206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).