5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thieno[2,3-c]pyridazine-6-carboxamide

C11H10N4O3S2 — CID 80519243

IUPAC5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thieno[2,3-c]pyridazine-6-carboxamide
SMILESNc1c(C(=O)NC2C=CS(=O)(=O)C2)sc2nnccc12
InChIInChI=1S/C11H10N4O3S2/c12-8-7-1-3-13-15-11(7)19-9(8)10(16)14-6-2-4-20(17,18)5-6/h1-4,6H,5,12H2,(H,14,16)
InChIKeyJUULQVUBVMXKOY-UHFFFAOYSA-N
MW310.36 g/mol
LogP0.31
Rot. Bonds2

About 5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thieno[2,3-c]pyridazine-6-carboxamide

5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 80519243) has the molecular formula C11H10N4O3S2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thieno[2,3-c]pyridazine-6-carboxamide
PubChem CID80519243
Molecular FormulaC11H10N4O3S2
Molecular Weight310.36 g/mol
Exact Mass310.02
IUPAC Name5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thieno[2,3-c]pyridazine-6-carboxamide
SMILESNc1c(C(=O)NC2C=CS(=O)(=O)C2)sc2nnccc12
InChIInChI=1S/C11H10N4O3S2/c12-8-7-1-3-13-15-11(7)19-9(8)10(16)14-6-2-4-20(17,18)5-6/h1-4,6H,5,12H2,(H,14,16)
InChIKeyJUULQVUBVMXKOY-UHFFFAOYSA-N
XLogP0.31
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of 5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thieno[2,3-c]pyridazine-6-carboxamide (CID 80519243) is 5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for 5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thieno[2,3-c]pyridazine-6-carboxamide is Nc1c(C(=O)NC2C=CS(=O)(=O)C2)sc2nnccc12.
What is the InChIKey of 5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is JUULQVUBVMXKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3S2/c12-8-7-1-3-13-15-11(7)19-9(8)10(16)14-6-2-4-20(17,18)5-6/h1-4,6H,5,12H2,(H,14,16).
What are the key properties of 5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thieno[2,3-c]pyridazine-6-carboxamide?
5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 80519243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).