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

C11H7ClN4OS — CID 42281615

IUPAC2-amino-7-(4-chlorophenyl)-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one
SMILESNc1nc2c(=O)[nH]nc(-c3ccc(Cl)cc3)c2s1
InChIInChI=1S/C11H7ClN4OS/c12-6-3-1-5(2-4-6)7-9-8(10(17)16-15-7)14-11(13)18-9/h1-4H,(H2,13,14)(H,16,17)
InChIKeyGRMWWADUVONGGP-UHFFFAOYSA-N
MW278.72 g/mol
LogP2.28
Rot. Bonds1

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

2-amino-7-(4-chlorophenyl)-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one (PubChem CID 42281615) has the molecular formula C11H7ClN4OS and a molecular weight of 278.72 g/mol. Its IUPAC name is 2-amino-7-(4-chlorophenyl)-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one.

Molecular Properties

Compound Name2-amino-7-(4-chlorophenyl)-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one
PubChem CID42281615
Molecular FormulaC11H7ClN4OS
Molecular Weight278.72 g/mol
Exact Mass278.00
IUPAC Name2-amino-7-(4-chlorophenyl)-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one
SMILESNc1nc2c(=O)[nH]nc(-c3ccc(Cl)cc3)c2s1
InChIInChI=1S/C11H7ClN4OS/c12-6-3-1-5(2-4-6)7-9-8(10(17)16-15-7)14-11(13)18-9/h1-4H,(H2,13,14)(H,16,17)
InChIKeyGRMWWADUVONGGP-UHFFFAOYSA-N
XLogP2.28
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.72
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(4-chlorophenyl)-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The IUPAC name of 2-amino-7-(4-chlorophenyl)-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one (CID 42281615) is 2-amino-7-(4-chlorophenyl)-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one.
What is the SMILES notation for 2-amino-7-(4-chlorophenyl)-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The canonical SMILES for 2-amino-7-(4-chlorophenyl)-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one is Nc1nc2c(=O)[nH]nc(-c3ccc(Cl)cc3)c2s1.
What is the InChIKey of 2-amino-7-(4-chlorophenyl)-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The InChIKey is GRMWWADUVONGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4OS/c12-6-3-1-5(2-4-6)7-9-8(10(17)16-15-7)14-11(13)18-9/h1-4H,(H2,13,14)(H,16,17).
What are the key properties of 2-amino-7-(4-chlorophenyl)-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one?
2-amino-7-(4-chlorophenyl)-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one has a molecular weight of 278.72 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(4-chlorophenyl)-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 42281615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).