1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b][1,4]thiazin-5-one

C10H15N3OS — CID 143820903

IUPAC1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b][1,4]thiazin-5-one
SMILESCc1nn(C)c2c1N(C(C)C)C(=O)CS2
InChIInChI=1S/C10H15N3OS/c1-6(2)13-8(14)5-15-10-9(13)7(3)11-12(10)4/h6H,5H2,1-4H3
InChIKeyJADQGGLJNQVKOX-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.58
Rot. Bonds1

About 1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b][1,4]thiazin-5-one

1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b][1,4]thiazin-5-one (PubChem CID 143820903) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b][1,4]thiazin-5-one.

Molecular Properties

Compound Name1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b][1,4]thiazin-5-one
PubChem CID143820903
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b][1,4]thiazin-5-one
SMILESCc1nn(C)c2c1N(C(C)C)C(=O)CS2
InChIInChI=1S/C10H15N3OS/c1-6(2)13-8(14)5-15-10-9(13)7(3)11-12(10)4/h6H,5H2,1-4H3
InChIKeyJADQGGLJNQVKOX-UHFFFAOYSA-N
XLogP1.58
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b][1,4]thiazin-5-one?
The IUPAC name of 1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b][1,4]thiazin-5-one (CID 143820903) is 1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b][1,4]thiazin-5-one.
What is the SMILES notation for 1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b][1,4]thiazin-5-one?
The canonical SMILES for 1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b][1,4]thiazin-5-one is Cc1nn(C)c2c1N(C(C)C)C(=O)CS2.
What is the InChIKey of 1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b][1,4]thiazin-5-one?
The InChIKey is JADQGGLJNQVKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-6(2)13-8(14)5-15-10-9(13)7(3)11-12(10)4/h6H,5H2,1-4H3.
What are the key properties of 1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b][1,4]thiazin-5-one?
1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b][1,4]thiazin-5-one has a molecular weight of 225.32 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b][1,4]thiazin-5-one is sourced from PubChem (CID 143820903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).