2-methyl-[1,3]thiazolo[4,5-d]pyridazine

C6H5N3S — CID 21139041

IUPAC2-methyl-[1,3]thiazolo[4,5-d]pyridazine
SMILESCc1nc2cnncc2s1
InChIInChI=1S/C6H5N3S/c1-4-9-5-2-7-8-3-6(5)10-4/h2-3H,1H3
InChIKeyNYXIVYJQVMQJFS-UHFFFAOYSA-N
MW151.19 g/mol
LogP1.39
Rot. Bonds

About 2-methyl-[1,3]thiazolo[4,5-d]pyridazine

2-methyl-[1,3]thiazolo[4,5-d]pyridazine (PubChem CID 21139041) has the molecular formula C6H5N3S and a molecular weight of 151.19 g/mol. Its IUPAC name is 2-methyl-[1,3]thiazolo[4,5-d]pyridazine.

Molecular Properties

Compound Name2-methyl-[1,3]thiazolo[4,5-d]pyridazine
PubChem CID21139041
Molecular FormulaC6H5N3S
Molecular Weight151.19 g/mol
Exact Mass151.02
IUPAC Name2-methyl-[1,3]thiazolo[4,5-d]pyridazine
SMILESCc1nc2cnncc2s1
InChIInChI=1S/C6H5N3S/c1-4-9-5-2-7-8-3-6(5)10-4/h2-3H,1H3
InChIKeyNYXIVYJQVMQJFS-UHFFFAOYSA-N
XLogP1.39
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-[1,3]thiazolo[4,5-d]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-[1,3]thiazolo[4,5-d]pyridazine?
The IUPAC name of 2-methyl-[1,3]thiazolo[4,5-d]pyridazine (CID 21139041) is 2-methyl-[1,3]thiazolo[4,5-d]pyridazine.
What is the SMILES notation for 2-methyl-[1,3]thiazolo[4,5-d]pyridazine?
The canonical SMILES for 2-methyl-[1,3]thiazolo[4,5-d]pyridazine is Cc1nc2cnncc2s1.
What is the InChIKey of 2-methyl-[1,3]thiazolo[4,5-d]pyridazine?
The InChIKey is NYXIVYJQVMQJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3S/c1-4-9-5-2-7-8-3-6(5)10-4/h2-3H,1H3.
What are the key properties of 2-methyl-[1,3]thiazolo[4,5-d]pyridazine?
2-methyl-[1,3]thiazolo[4,5-d]pyridazine has a molecular weight of 151.19 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-[1,3]thiazolo[4,5-d]pyridazine is sourced from PubChem (CID 21139041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).