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

C9H11N3S — CID 118552446

IUPAC2-tert-butyl-[1,3]thiazolo[4,5-d]pyridazine
SMILESCC(C)(C)c1nc2cnncc2s1
InChIInChI=1S/C9H11N3S/c1-9(2,3)8-12-6-4-10-11-5-7(6)13-8/h4-5H,1-3H3
InChIKeyXIIZXQWTCRJXJU-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.38
Rot. Bonds

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

2-tert-butyl-[1,3]thiazolo[4,5-d]pyridazine (PubChem CID 118552446) has the molecular formula C9H11N3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-tert-butyl-[1,3]thiazolo[4,5-d]pyridazine.

Molecular Properties

Compound Name2-tert-butyl-[1,3]thiazolo[4,5-d]pyridazine
PubChem CID118552446
Molecular FormulaC9H11N3S
Molecular Weight193.27 g/mol
Exact Mass193.07
IUPAC Name2-tert-butyl-[1,3]thiazolo[4,5-d]pyridazine
SMILESCC(C)(C)c1nc2cnncc2s1
InChIInChI=1S/C9H11N3S/c1-9(2,3)8-12-6-4-10-11-5-7(6)13-8/h4-5H,1-3H3
InChIKeyXIIZXQWTCRJXJU-UHFFFAOYSA-N
XLogP2.38
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-[1,3]thiazolo[4,5-d]pyridazine?
The IUPAC name of 2-tert-butyl-[1,3]thiazolo[4,5-d]pyridazine (CID 118552446) is 2-tert-butyl-[1,3]thiazolo[4,5-d]pyridazine.
What is the SMILES notation for 2-tert-butyl-[1,3]thiazolo[4,5-d]pyridazine?
The canonical SMILES for 2-tert-butyl-[1,3]thiazolo[4,5-d]pyridazine is CC(C)(C)c1nc2cnncc2s1.
What is the InChIKey of 2-tert-butyl-[1,3]thiazolo[4,5-d]pyridazine?
The InChIKey is XIIZXQWTCRJXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-9(2,3)8-12-6-4-10-11-5-7(6)13-8/h4-5H,1-3H3.
What are the key properties of 2-tert-butyl-[1,3]thiazolo[4,5-d]pyridazine?
2-tert-butyl-[1,3]thiazolo[4,5-d]pyridazine has a molecular weight of 193.27 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-[1,3]thiazolo[4,5-d]pyridazine is sourced from PubChem (CID 118552446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).