6-ethyl-1,3-dimethyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one

C9H13N3OS — CID 105356049

IUPAC6-ethyl-1,3-dimethyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one
SMILESCCC1Sc2c(c(C)nn2C)NC1=O
InChIInChI=1S/C9H13N3OS/c1-4-6-8(13)10-7-5(2)11-12(3)9(7)14-6/h6H,4H2,1-3H3,(H,10,13)
InChIKeyIHUFLZMCKOUUHX-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.55
Rot. Bonds1

About 6-ethyl-1,3-dimethyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one

6-ethyl-1,3-dimethyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one (PubChem CID 105356049) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 6-ethyl-1,3-dimethyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one.

Molecular Properties

Compound Name6-ethyl-1,3-dimethyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one
PubChem CID105356049
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name6-ethyl-1,3-dimethyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one
SMILESCCC1Sc2c(c(C)nn2C)NC1=O
InChIInChI=1S/C9H13N3OS/c1-4-6-8(13)10-7-5(2)11-12(3)9(7)14-6/h6H,4H2,1-3H3,(H,10,13)
InChIKeyIHUFLZMCKOUUHX-UHFFFAOYSA-N
XLogP1.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,3-dimethyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one?
The IUPAC name of 6-ethyl-1,3-dimethyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one (CID 105356049) is 6-ethyl-1,3-dimethyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one.
What is the SMILES notation for 6-ethyl-1,3-dimethyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one?
The canonical SMILES for 6-ethyl-1,3-dimethyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one is CCC1Sc2c(c(C)nn2C)NC1=O.
What is the InChIKey of 6-ethyl-1,3-dimethyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one?
The InChIKey is IHUFLZMCKOUUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-4-6-8(13)10-7-5(2)11-12(3)9(7)14-6/h6H,4H2,1-3H3,(H,10,13).
What are the key properties of 6-ethyl-1,3-dimethyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one?
6-ethyl-1,3-dimethyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one has a molecular weight of 211.29 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,3-dimethyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one is sourced from PubChem (CID 105356049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).