2-methyl-4,5-bis(1,3-thiazol-2-yl)pyridazin-3-one

C11H8N4OS2 — CID 143625525

IUPAC2-methyl-4,5-bis(1,3-thiazol-2-yl)pyridazin-3-one
SMILESCn1ncc(-c2nccs2)c(-c2nccs2)c1=O
InChIInChI=1S/C11H8N4OS2/c1-15-11(16)8(10-13-3-5-18-10)7(6-14-15)9-12-2-4-17-9/h2-6H,1H3
InChIKeyXNUBTTNZCHEYNO-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.03
Rot. Bonds2

About 2-methyl-4,5-bis(1,3-thiazol-2-yl)pyridazin-3-one

2-methyl-4,5-bis(1,3-thiazol-2-yl)pyridazin-3-one (PubChem CID 143625525) has the molecular formula C11H8N4OS2 and a molecular weight of 276.35 g/mol. Its IUPAC name is 2-methyl-4,5-bis(1,3-thiazol-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-4,5-bis(1,3-thiazol-2-yl)pyridazin-3-one
PubChem CID143625525
Molecular FormulaC11H8N4OS2
Molecular Weight276.35 g/mol
Exact Mass276.01
IUPAC Name2-methyl-4,5-bis(1,3-thiazol-2-yl)pyridazin-3-one
SMILESCn1ncc(-c2nccs2)c(-c2nccs2)c1=O
InChIInChI=1S/C11H8N4OS2/c1-15-11(16)8(10-13-3-5-18-10)7(6-14-15)9-12-2-4-17-9/h2-6H,1H3
InChIKeyXNUBTTNZCHEYNO-UHFFFAOYSA-N
XLogP2.03
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5-bis(1,3-thiazol-2-yl)pyridazin-3-one?
The IUPAC name of 2-methyl-4,5-bis(1,3-thiazol-2-yl)pyridazin-3-one (CID 143625525) is 2-methyl-4,5-bis(1,3-thiazol-2-yl)pyridazin-3-one.
What is the SMILES notation for 2-methyl-4,5-bis(1,3-thiazol-2-yl)pyridazin-3-one?
The canonical SMILES for 2-methyl-4,5-bis(1,3-thiazol-2-yl)pyridazin-3-one is Cn1ncc(-c2nccs2)c(-c2nccs2)c1=O.
What is the InChIKey of 2-methyl-4,5-bis(1,3-thiazol-2-yl)pyridazin-3-one?
The InChIKey is XNUBTTNZCHEYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4OS2/c1-15-11(16)8(10-13-3-5-18-10)7(6-14-15)9-12-2-4-17-9/h2-6H,1H3.
What are the key properties of 2-methyl-4,5-bis(1,3-thiazol-2-yl)pyridazin-3-one?
2-methyl-4,5-bis(1,3-thiazol-2-yl)pyridazin-3-one has a molecular weight of 276.35 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5-bis(1,3-thiazol-2-yl)pyridazin-3-one is sourced from PubChem (CID 143625525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).