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

C10H15N3OS — CID 105356050

IUPAC3,6-diethyl-1-methyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one
SMILESCCc1nn(C)c2c1NC(=O)C(CC)S2
InChIInChI=1S/C10H15N3OS/c1-4-6-8-10(13(3)12-6)15-7(5-2)9(14)11-8/h7H,4-5H2,1-3H3,(H,11,14)
InChIKeyNAFMJCGOEWKUBQ-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.81
Rot. Bonds2

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

3,6-diethyl-1-methyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one (PubChem CID 105356050) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 3,6-diethyl-1-methyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one.

Molecular Properties

Compound Name3,6-diethyl-1-methyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one
PubChem CID105356050
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name3,6-diethyl-1-methyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one
SMILESCCc1nn(C)c2c1NC(=O)C(CC)S2
InChIInChI=1S/C10H15N3OS/c1-4-6-8-10(13(3)12-6)15-7(5-2)9(14)11-8/h7H,4-5H2,1-3H3,(H,11,14)
InChIKeyNAFMJCGOEWKUBQ-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-1-methyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one?
The IUPAC name of 3,6-diethyl-1-methyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one (CID 105356050) is 3,6-diethyl-1-methyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one.
What is the SMILES notation for 3,6-diethyl-1-methyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one?
The canonical SMILES for 3,6-diethyl-1-methyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one is CCc1nn(C)c2c1NC(=O)C(CC)S2.
What is the InChIKey of 3,6-diethyl-1-methyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one?
The InChIKey is NAFMJCGOEWKUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-4-6-8-10(13(3)12-6)15-7(5-2)9(14)11-8/h7H,4-5H2,1-3H3,(H,11,14).
What are the key properties of 3,6-diethyl-1-methyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one?
3,6-diethyl-1-methyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one has a molecular weight of 225.32 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-1-methyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one is sourced from PubChem (CID 105356050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).