5-methyl-3-pyridin-4-yl-7-(1,3-thiazol-2-ylmethoxy)thieno[2,3-d]pyridazin-4-one

C16H12N4O2S2 — CID 78426852

IUPAC5-methyl-3-pyridin-4-yl-7-(1,3-thiazol-2-ylmethoxy)thieno[2,3-d]pyridazin-4-one
SMILESCn1nc(OCc2nccs2)c2scc(-c3ccncc3)c2c1=O
InChIInChI=1S/C16H12N4O2S2/c1-20-16(21)13-11(10-2-4-17-5-3-10)9-24-14(13)15(19-20)22-8-12-18-6-7-23-12/h2-7,9H,8H2,1H3
InChIKeyQWFDTLNYBQHLDT-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.09
Rot. Bonds4

About 5-methyl-3-pyridin-4-yl-7-(1,3-thiazol-2-ylmethoxy)thieno[2,3-d]pyridazin-4-one

5-methyl-3-pyridin-4-yl-7-(1,3-thiazol-2-ylmethoxy)thieno[2,3-d]pyridazin-4-one (PubChem CID 78426852) has the molecular formula C16H12N4O2S2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 5-methyl-3-pyridin-4-yl-7-(1,3-thiazol-2-ylmethoxy)thieno[2,3-d]pyridazin-4-one.

Molecular Properties

Compound Name5-methyl-3-pyridin-4-yl-7-(1,3-thiazol-2-ylmethoxy)thieno[2,3-d]pyridazin-4-one
PubChem CID78426852
Molecular FormulaC16H12N4O2S2
Molecular Weight356.43 g/mol
Exact Mass356.04
IUPAC Name5-methyl-3-pyridin-4-yl-7-(1,3-thiazol-2-ylmethoxy)thieno[2,3-d]pyridazin-4-one
SMILESCn1nc(OCc2nccs2)c2scc(-c3ccncc3)c2c1=O
InChIInChI=1S/C16H12N4O2S2/c1-20-16(21)13-11(10-2-4-17-5-3-10)9-24-14(13)15(19-20)22-8-12-18-6-7-23-12/h2-7,9H,8H2,1H3
InChIKeyQWFDTLNYBQHLDT-UHFFFAOYSA-N
XLogP3.09
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-pyridin-4-yl-7-(1,3-thiazol-2-ylmethoxy)thieno[2,3-d]pyridazin-4-one?
The IUPAC name of 5-methyl-3-pyridin-4-yl-7-(1,3-thiazol-2-ylmethoxy)thieno[2,3-d]pyridazin-4-one (CID 78426852) is 5-methyl-3-pyridin-4-yl-7-(1,3-thiazol-2-ylmethoxy)thieno[2,3-d]pyridazin-4-one.
What is the SMILES notation for 5-methyl-3-pyridin-4-yl-7-(1,3-thiazol-2-ylmethoxy)thieno[2,3-d]pyridazin-4-one?
The canonical SMILES for 5-methyl-3-pyridin-4-yl-7-(1,3-thiazol-2-ylmethoxy)thieno[2,3-d]pyridazin-4-one is Cn1nc(OCc2nccs2)c2scc(-c3ccncc3)c2c1=O.
What is the InChIKey of 5-methyl-3-pyridin-4-yl-7-(1,3-thiazol-2-ylmethoxy)thieno[2,3-d]pyridazin-4-one?
The InChIKey is QWFDTLNYBQHLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2S2/c1-20-16(21)13-11(10-2-4-17-5-3-10)9-24-14(13)15(19-20)22-8-12-18-6-7-23-12/h2-7,9H,8H2,1H3.
What are the key properties of 5-methyl-3-pyridin-4-yl-7-(1,3-thiazol-2-ylmethoxy)thieno[2,3-d]pyridazin-4-one?
5-methyl-3-pyridin-4-yl-7-(1,3-thiazol-2-ylmethoxy)thieno[2,3-d]pyridazin-4-one has a molecular weight of 356.43 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-pyridin-4-yl-7-(1,3-thiazol-2-ylmethoxy)thieno[2,3-d]pyridazin-4-one is sourced from PubChem (CID 78426852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).