1,6-diethyl-3-methyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one

C10H15N3OS — CID 105356070

IUPAC1,6-diethyl-3-methyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one
SMILESCCC1Sc2c(c(C)nn2CC)NC1=O
InChIInChI=1S/C10H15N3OS/c1-4-7-9(14)11-8-6(3)12-13(5-2)10(8)15-7/h7H,4-5H2,1-3H3,(H,11,14)
InChIKeyLOTIRKRUDLPUIJ-UHFFFAOYSA-N
MW225.32 g/mol
LogP2.03
Rot. Bonds2

About 1,6-diethyl-3-methyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one

1,6-diethyl-3-methyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one (PubChem CID 105356070) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 1,6-diethyl-3-methyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one.

Molecular Properties

Compound Name1,6-diethyl-3-methyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one
PubChem CID105356070
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name1,6-diethyl-3-methyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one
SMILESCCC1Sc2c(c(C)nn2CC)NC1=O
InChIInChI=1S/C10H15N3OS/c1-4-7-9(14)11-8-6(3)12-13(5-2)10(8)15-7/h7H,4-5H2,1-3H3,(H,11,14)
InChIKeyLOTIRKRUDLPUIJ-UHFFFAOYSA-N
XLogP2.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,6-diethyl-3-methyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one?
The IUPAC name of 1,6-diethyl-3-methyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one (CID 105356070) is 1,6-diethyl-3-methyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one.
What is the SMILES notation for 1,6-diethyl-3-methyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one?
The canonical SMILES for 1,6-diethyl-3-methyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one is CCC1Sc2c(c(C)nn2CC)NC1=O.
What is the InChIKey of 1,6-diethyl-3-methyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one?
The InChIKey is LOTIRKRUDLPUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-4-7-9(14)11-8-6(3)12-13(5-2)10(8)15-7/h7H,4-5H2,1-3H3,(H,11,14).
What are the key properties of 1,6-diethyl-3-methyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one?
1,6-diethyl-3-methyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one has a molecular weight of 225.32 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-diethyl-3-methyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one is sourced from PubChem (CID 105356070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).