3-(4,4-difluoro-5,5-dimethylthieno[2,3-c]pyridin-7-yl)thieno[2,3-c]pyridazine

C15H11F2N3S2 — CID 135152668

IUPAC3-(4,4-difluoro-5,5-dimethylthieno[2,3-c]pyridin-7-yl)thieno[2,3-c]pyridazine
SMILESCC1(C)N=C(c2cc3ccsc3nn2)c2sccc2C1(F)F
InChIInChI=1S/C15H11F2N3S2/c1-14(2)15(16,17)9-4-6-21-12(9)11(18-14)10-7-8-3-5-22-13(8)20-19-10/h3-7H,1-2H3
InChIKeySFEHTBTWFGHQOZ-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.47
Rot. Bonds1

About 3-(4,4-difluoro-5,5-dimethylthieno[2,3-c]pyridin-7-yl)thieno[2,3-c]pyridazine

3-(4,4-difluoro-5,5-dimethylthieno[2,3-c]pyridin-7-yl)thieno[2,3-c]pyridazine (PubChem CID 135152668) has the molecular formula C15H11F2N3S2 and a molecular weight of 335.40 g/mol. Its IUPAC name is 3-(4,4-difluoro-5,5-dimethylthieno[2,3-c]pyridin-7-yl)thieno[2,3-c]pyridazine.

Molecular Properties

Compound Name3-(4,4-difluoro-5,5-dimethylthieno[2,3-c]pyridin-7-yl)thieno[2,3-c]pyridazine
PubChem CID135152668
Molecular FormulaC15H11F2N3S2
Molecular Weight335.40 g/mol
Exact Mass335.04
IUPAC Name3-(4,4-difluoro-5,5-dimethylthieno[2,3-c]pyridin-7-yl)thieno[2,3-c]pyridazine
SMILESCC1(C)N=C(c2cc3ccsc3nn2)c2sccc2C1(F)F
InChIInChI=1S/C15H11F2N3S2/c1-14(2)15(16,17)9-4-6-21-12(9)11(18-14)10-7-8-3-5-22-13(8)20-19-10/h3-7H,1-2H3
InChIKeySFEHTBTWFGHQOZ-UHFFFAOYSA-N
XLogP4.47
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4-difluoro-5,5-dimethylthieno[2,3-c]pyridin-7-yl)thieno[2,3-c]pyridazine?
The IUPAC name of 3-(4,4-difluoro-5,5-dimethylthieno[2,3-c]pyridin-7-yl)thieno[2,3-c]pyridazine (CID 135152668) is 3-(4,4-difluoro-5,5-dimethylthieno[2,3-c]pyridin-7-yl)thieno[2,3-c]pyridazine.
What is the SMILES notation for 3-(4,4-difluoro-5,5-dimethylthieno[2,3-c]pyridin-7-yl)thieno[2,3-c]pyridazine?
The canonical SMILES for 3-(4,4-difluoro-5,5-dimethylthieno[2,3-c]pyridin-7-yl)thieno[2,3-c]pyridazine is CC1(C)N=C(c2cc3ccsc3nn2)c2sccc2C1(F)F.
What is the InChIKey of 3-(4,4-difluoro-5,5-dimethylthieno[2,3-c]pyridin-7-yl)thieno[2,3-c]pyridazine?
The InChIKey is SFEHTBTWFGHQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3S2/c1-14(2)15(16,17)9-4-6-21-12(9)11(18-14)10-7-8-3-5-22-13(8)20-19-10/h3-7H,1-2H3.
What are the key properties of 3-(4,4-difluoro-5,5-dimethylthieno[2,3-c]pyridin-7-yl)thieno[2,3-c]pyridazine?
3-(4,4-difluoro-5,5-dimethylthieno[2,3-c]pyridin-7-yl)thieno[2,3-c]pyridazine has a molecular weight of 335.40 g/mol, XLogP of 4.47, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-difluoro-5,5-dimethylthieno[2,3-c]pyridin-7-yl)thieno[2,3-c]pyridazine is sourced from PubChem (CID 135152668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).