5-amino-N-(2-bromo-4-fluorophenyl)thieno[2,3-c]pyridazine-6-carboxamide

C13H8BrFN4OS — CID 80514829

IUPAC5-amino-N-(2-bromo-4-fluorophenyl)thieno[2,3-c]pyridazine-6-carboxamide
SMILESNc1c(C(=O)Nc2ccc(F)cc2Br)sc2nnccc12
InChIInChI=1S/C13H8BrFN4OS/c14-8-5-6(15)1-2-9(8)18-12(20)11-10(16)7-3-4-17-19-13(7)21-11/h1-5H,16H2,(H,18,20)
InChIKeyCVABVSUBWIHYEG-UHFFFAOYSA-N
MW367.20 g/mol
LogP3.43
Rot. Bonds2

About 5-amino-N-(2-bromo-4-fluorophenyl)thieno[2,3-c]pyridazine-6-carboxamide

5-amino-N-(2-bromo-4-fluorophenyl)thieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 80514829) has the molecular formula C13H8BrFN4OS and a molecular weight of 367.20 g/mol. Its IUPAC name is 5-amino-N-(2-bromo-4-fluorophenyl)thieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-bromo-4-fluorophenyl)thieno[2,3-c]pyridazine-6-carboxamide
PubChem CID80514829
Molecular FormulaC13H8BrFN4OS
Molecular Weight367.20 g/mol
Exact Mass365.96
IUPAC Name5-amino-N-(2-bromo-4-fluorophenyl)thieno[2,3-c]pyridazine-6-carboxamide
SMILESNc1c(C(=O)Nc2ccc(F)cc2Br)sc2nnccc12
InChIInChI=1S/C13H8BrFN4OS/c14-8-5-6(15)1-2-9(8)18-12(20)11-10(16)7-3-4-17-19-13(7)21-11/h1-5H,16H2,(H,18,20)
InChIKeyCVABVSUBWIHYEG-UHFFFAOYSA-N
XLogP3.43
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.20
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-bromo-4-fluorophenyl)thieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of 5-amino-N-(2-bromo-4-fluorophenyl)thieno[2,3-c]pyridazine-6-carboxamide (CID 80514829) is 5-amino-N-(2-bromo-4-fluorophenyl)thieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for 5-amino-N-(2-bromo-4-fluorophenyl)thieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 5-amino-N-(2-bromo-4-fluorophenyl)thieno[2,3-c]pyridazine-6-carboxamide is Nc1c(C(=O)Nc2ccc(F)cc2Br)sc2nnccc12.
What is the InChIKey of 5-amino-N-(2-bromo-4-fluorophenyl)thieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is CVABVSUBWIHYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFN4OS/c14-8-5-6(15)1-2-9(8)18-12(20)11-10(16)7-3-4-17-19-13(7)21-11/h1-5H,16H2,(H,18,20).
What are the key properties of 5-amino-N-(2-bromo-4-fluorophenyl)thieno[2,3-c]pyridazine-6-carboxamide?
5-amino-N-(2-bromo-4-fluorophenyl)thieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 367.20 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-bromo-4-fluorophenyl)thieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 80514829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).