2-amino-7-phenyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one

C11H8N4OS — CID 42281614

IUPAC2-amino-7-phenyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one
SMILESNc1nc2c(=O)[nH]nc(-c3ccccc3)c2s1
InChIInChI=1S/C11H8N4OS/c12-11-13-8-9(17-11)7(14-15-10(8)16)6-4-2-1-3-5-6/h1-5H,(H2,12,13)(H,15,16)
InChIKeyCKCOPPBCDQMNSE-UHFFFAOYSA-N
MW244.28 g/mol
LogP1.63
Rot. Bonds1

About 2-amino-7-phenyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one

2-amino-7-phenyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one (PubChem CID 42281614) has the molecular formula C11H8N4OS and a molecular weight of 244.28 g/mol. Its IUPAC name is 2-amino-7-phenyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one.

Molecular Properties

Compound Name2-amino-7-phenyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one
PubChem CID42281614
Molecular FormulaC11H8N4OS
Molecular Weight244.28 g/mol
Exact Mass244.04
IUPAC Name2-amino-7-phenyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one
SMILESNc1nc2c(=O)[nH]nc(-c3ccccc3)c2s1
InChIInChI=1S/C11H8N4OS/c12-11-13-8-9(17-11)7(14-15-10(8)16)6-4-2-1-3-5-6/h1-5H,(H2,12,13)(H,15,16)
InChIKeyCKCOPPBCDQMNSE-UHFFFAOYSA-N
XLogP1.63
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-phenyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The IUPAC name of 2-amino-7-phenyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one (CID 42281614) is 2-amino-7-phenyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one.
What is the SMILES notation for 2-amino-7-phenyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The canonical SMILES for 2-amino-7-phenyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one is Nc1nc2c(=O)[nH]nc(-c3ccccc3)c2s1.
What is the InChIKey of 2-amino-7-phenyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The InChIKey is CKCOPPBCDQMNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4OS/c12-11-13-8-9(17-11)7(14-15-10(8)16)6-4-2-1-3-5-6/h1-5H,(H2,12,13)(H,15,16).
What are the key properties of 2-amino-7-phenyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one?
2-amino-7-phenyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one has a molecular weight of 244.28 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-phenyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 42281614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).