2-benzyl-7-(4-fluoro-2-methylphenyl)thieno[2,3-d]pyridazine

C20H15FN2S — CID 59346427

IUPAC2-benzyl-7-(4-fluoro-2-methylphenyl)thieno[2,3-d]pyridazine
SMILESCc1cc(F)ccc1-c1nncc2cc(Cc3ccccc3)sc12
InChIInChI=1S/C20H15FN2S/c1-13-9-16(21)7-8-18(13)19-20-15(12-22-23-19)11-17(24-20)10-14-5-3-2-4-6-14/h2-9,11-12H,10H2,1H3
InChIKeyQRKCLRDYPKEFCS-UHFFFAOYSA-N
MW334.42 g/mol
LogP5.40
Rot. Bonds3

About 2-benzyl-7-(4-fluoro-2-methylphenyl)thieno[2,3-d]pyridazine

2-benzyl-7-(4-fluoro-2-methylphenyl)thieno[2,3-d]pyridazine (PubChem CID 59346427) has the molecular formula C20H15FN2S and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-benzyl-7-(4-fluoro-2-methylphenyl)thieno[2,3-d]pyridazine.

Molecular Properties

Compound Name2-benzyl-7-(4-fluoro-2-methylphenyl)thieno[2,3-d]pyridazine
PubChem CID59346427
Molecular FormulaC20H15FN2S
Molecular Weight334.42 g/mol
Exact Mass334.09
IUPAC Name2-benzyl-7-(4-fluoro-2-methylphenyl)thieno[2,3-d]pyridazine
SMILESCc1cc(F)ccc1-c1nncc2cc(Cc3ccccc3)sc12
InChIInChI=1S/C20H15FN2S/c1-13-9-16(21)7-8-18(13)19-20-15(12-22-23-19)11-17(24-20)10-14-5-3-2-4-6-14/h2-9,11-12H,10H2,1H3
InChIKeyQRKCLRDYPKEFCS-UHFFFAOYSA-N
XLogP5.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-7-(4-fluoro-2-methylphenyl)thieno[2,3-d]pyridazine?
The IUPAC name of 2-benzyl-7-(4-fluoro-2-methylphenyl)thieno[2,3-d]pyridazine (CID 59346427) is 2-benzyl-7-(4-fluoro-2-methylphenyl)thieno[2,3-d]pyridazine.
What is the SMILES notation for 2-benzyl-7-(4-fluoro-2-methylphenyl)thieno[2,3-d]pyridazine?
The canonical SMILES for 2-benzyl-7-(4-fluoro-2-methylphenyl)thieno[2,3-d]pyridazine is Cc1cc(F)ccc1-c1nncc2cc(Cc3ccccc3)sc12.
What is the InChIKey of 2-benzyl-7-(4-fluoro-2-methylphenyl)thieno[2,3-d]pyridazine?
The InChIKey is QRKCLRDYPKEFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2S/c1-13-9-16(21)7-8-18(13)19-20-15(12-22-23-19)11-17(24-20)10-14-5-3-2-4-6-14/h2-9,11-12H,10H2,1H3.
What are the key properties of 2-benzyl-7-(4-fluoro-2-methylphenyl)thieno[2,3-d]pyridazine?
2-benzyl-7-(4-fluoro-2-methylphenyl)thieno[2,3-d]pyridazine has a molecular weight of 334.42 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-7-(4-fluoro-2-methylphenyl)thieno[2,3-d]pyridazine is sourced from PubChem (CID 59346427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).