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

C12H8ClN3OS — CID 42281610

IUPAC7-(4-chlorophenyl)-2-methyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one
SMILESCc1nc2c(=O)[nH]nc(-c3ccc(Cl)cc3)c2s1
InChIInChI=1S/C12H8ClN3OS/c1-6-14-10-11(18-6)9(15-16-12(10)17)7-2-4-8(13)5-3-7/h2-5H,1H3,(H,16,17)
InChIKeyRCEGWYLEIRKZGY-UHFFFAOYSA-N
MW277.74 g/mol
LogP3.01
Rot. Bonds1

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

7-(4-chlorophenyl)-2-methyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one (PubChem CID 42281610) has the molecular formula C12H8ClN3OS and a molecular weight of 277.74 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-2-methyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one.

Molecular Properties

Compound Name7-(4-chlorophenyl)-2-methyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one
PubChem CID42281610
Molecular FormulaC12H8ClN3OS
Molecular Weight277.74 g/mol
Exact Mass277.01
IUPAC Name7-(4-chlorophenyl)-2-methyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one
SMILESCc1nc2c(=O)[nH]nc(-c3ccc(Cl)cc3)c2s1
InChIInChI=1S/C12H8ClN3OS/c1-6-14-10-11(18-6)9(15-16-12(10)17)7-2-4-8(13)5-3-7/h2-5H,1H3,(H,16,17)
InChIKeyRCEGWYLEIRKZGY-UHFFFAOYSA-N
XLogP3.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.74
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-2-methyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The IUPAC name of 7-(4-chlorophenyl)-2-methyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one (CID 42281610) is 7-(4-chlorophenyl)-2-methyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one.
What is the SMILES notation for 7-(4-chlorophenyl)-2-methyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The canonical SMILES for 7-(4-chlorophenyl)-2-methyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one is Cc1nc2c(=O)[nH]nc(-c3ccc(Cl)cc3)c2s1.
What is the InChIKey of 7-(4-chlorophenyl)-2-methyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The InChIKey is RCEGWYLEIRKZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3OS/c1-6-14-10-11(18-6)9(15-16-12(10)17)7-2-4-8(13)5-3-7/h2-5H,1H3,(H,16,17).
What are the key properties of 7-(4-chlorophenyl)-2-methyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one?
7-(4-chlorophenyl)-2-methyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one has a molecular weight of 277.74 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-2-methyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 42281610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).