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

C8H9N3S — CID 20602983

IUPAC2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine
SMILESCC(C)c1nc2cnncc2s1
InChIInChI=1S/C8H9N3S/c1-5(2)8-11-6-3-9-10-4-7(6)12-8/h3-5H,1-2H3
InChIKeyOMNBGMSJKAEDND-UHFFFAOYSA-N
MW179.25 g/mol
LogP2.21
Rot. Bonds1

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

2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine (PubChem CID 20602983) has the molecular formula C8H9N3S and a molecular weight of 179.25 g/mol. Its IUPAC name is 2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine.

Molecular Properties

Compound Name2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine
PubChem CID20602983
Molecular FormulaC8H9N3S
Molecular Weight179.25 g/mol
Exact Mass179.05
IUPAC Name2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine
SMILESCC(C)c1nc2cnncc2s1
InChIInChI=1S/C8H9N3S/c1-5(2)8-11-6-3-9-10-4-7(6)12-8/h3-5H,1-2H3
InChIKeyOMNBGMSJKAEDND-UHFFFAOYSA-N
XLogP2.21
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine?
The IUPAC name of 2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine (CID 20602983) is 2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine.
What is the SMILES notation for 2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine?
The canonical SMILES for 2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine is CC(C)c1nc2cnncc2s1.
What is the InChIKey of 2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine?
The InChIKey is OMNBGMSJKAEDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S/c1-5(2)8-11-6-3-9-10-4-7(6)12-8/h3-5H,1-2H3.
What are the key properties of 2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine?
2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine has a molecular weight of 179.25 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine is sourced from PubChem (CID 20602983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).