6-oxo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-4,5-dihydro-1H-pyridazine-3-carboxamide

C11H9N5O2S2 — CID 108744010

IUPAC6-oxo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2nnc(-c3cccs3)s2)=NN1
InChIInChI=1S/C11H9N5O2S2/c17-8-4-3-6(13-14-8)9(18)12-11-16-15-10(20-11)7-2-1-5-19-7/h1-2,5H,3-4H2,(H,14,17)(H,12,16,18)
InChIKeyBSZOACNGMUIFLD-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.47
Rot. Bonds3

About 6-oxo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-4,5-dihydro-1H-pyridazine-3-carboxamide

6-oxo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 108744010) has the molecular formula C11H9N5O2S2 and a molecular weight of 307.36 g/mol. Its IUPAC name is 6-oxo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID108744010
Molecular FormulaC11H9N5O2S2
Molecular Weight307.36 g/mol
Exact Mass307.02
IUPAC Name6-oxo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2nnc(-c3cccs3)s2)=NN1
InChIInChI=1S/C11H9N5O2S2/c17-8-4-3-6(13-14-8)9(18)12-11-16-15-10(20-11)7-2-1-5-19-7/h1-2,5H,3-4H2,(H,14,17)(H,12,16,18)
InChIKeyBSZOACNGMUIFLD-UHFFFAOYSA-N
XLogP1.47
TPSA96.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 108744010) is 6-oxo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)Nc2nnc(-c3cccs3)s2)=NN1.
What is the InChIKey of 6-oxo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is BSZOACNGMUIFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O2S2/c17-8-4-3-6(13-14-8)9(18)12-11-16-15-10(20-11)7-2-1-5-19-7/h1-2,5H,3-4H2,(H,14,17)(H,12,16,18).
What are the key properties of 6-oxo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
6-oxo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 108744010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).