2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetic acid

C11H13N3O3S — CID 90488032

IUPAC2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetic acid
SMILESCc1nn(CC(=O)O)c(=O)c2nc(C(C)C)sc12
InChIInChI=1S/C11H13N3O3S/c1-5(2)10-12-8-9(18-10)6(3)13-14(11(8)17)4-7(15)16/h5H,4H2,1-3H3,(H,15,16)
InChIKeyKLEJTUXPIBAXIJ-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.37
Rot. Bonds3

About 2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetic acid

2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetic acid (PubChem CID 90488032) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetic acid
PubChem CID90488032
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetic acid
SMILESCc1nn(CC(=O)O)c(=O)c2nc(C(C)C)sc12
InChIInChI=1S/C11H13N3O3S/c1-5(2)10-12-8-9(18-10)6(3)13-14(11(8)17)4-7(15)16/h5H,4H2,1-3H3,(H,15,16)
InChIKeyKLEJTUXPIBAXIJ-UHFFFAOYSA-N
XLogP1.37
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetic acid?
The IUPAC name of 2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetic acid (CID 90488032) is 2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetic acid.
What is the SMILES notation for 2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetic acid?
The canonical SMILES for 2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetic acid is Cc1nn(CC(=O)O)c(=O)c2nc(C(C)C)sc12.
What is the InChIKey of 2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetic acid?
The InChIKey is KLEJTUXPIBAXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-5(2)10-12-8-9(18-10)6(3)13-14(11(8)17)4-7(15)16/h5H,4H2,1-3H3,(H,15,16).
What are the key properties of 2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetic acid?
2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetic acid has a molecular weight of 267.31 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetic acid is sourced from PubChem (CID 90488032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).