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

C8H11N3S — CID 144656059

IUPACethane;2-methyl-[1,3]thiazolo[4,5-d]pyridazine
SMILESCC.Cc1nc2cnncc2s1
InChIInChI=1S/C6H5N3S.C2H6/c1-4-9-5-2-7-8-3-6(5)10-4;1-2/h2-3H,1H3;1-2H3
InChIKeyPJIMNVCRFYIIIY-UHFFFAOYSA-N
MW181.26 g/mol
LogP2.42
Rot. Bonds

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

ethane;2-methyl-[1,3]thiazolo[4,5-d]pyridazine (PubChem CID 144656059) has the molecular formula C8H11N3S and a molecular weight of 181.26 g/mol. Its IUPAC name is ethane;2-methyl-[1,3]thiazolo[4,5-d]pyridazine.

Molecular Properties

Compound Nameethane;2-methyl-[1,3]thiazolo[4,5-d]pyridazine
PubChem CID144656059
Molecular FormulaC8H11N3S
Molecular Weight181.26 g/mol
Exact Mass181.07
IUPAC Nameethane;2-methyl-[1,3]thiazolo[4,5-d]pyridazine
SMILESCC.Cc1nc2cnncc2s1
InChIInChI=1S/C6H5N3S.C2H6/c1-4-9-5-2-7-8-3-6(5)10-4;1-2/h2-3H,1H3;1-2H3
InChIKeyPJIMNVCRFYIIIY-UHFFFAOYSA-N
XLogP2.42
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-[1,3]thiazolo[4,5-d]pyridazine?
The IUPAC name of ethane;2-methyl-[1,3]thiazolo[4,5-d]pyridazine (CID 144656059) is ethane;2-methyl-[1,3]thiazolo[4,5-d]pyridazine.
What is the SMILES notation for ethane;2-methyl-[1,3]thiazolo[4,5-d]pyridazine?
The canonical SMILES for ethane;2-methyl-[1,3]thiazolo[4,5-d]pyridazine is CC.Cc1nc2cnncc2s1.
What is the InChIKey of ethane;2-methyl-[1,3]thiazolo[4,5-d]pyridazine?
The InChIKey is PJIMNVCRFYIIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3S.C2H6/c1-4-9-5-2-7-8-3-6(5)10-4;1-2/h2-3H,1H3;1-2H3.
What are the key properties of ethane;2-methyl-[1,3]thiazolo[4,5-d]pyridazine?
ethane;2-methyl-[1,3]thiazolo[4,5-d]pyridazine has a molecular weight of 181.26 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-[1,3]thiazolo[4,5-d]pyridazine is sourced from PubChem (CID 144656059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).