3-ethyl-1-methyl-6-propan-2-yl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one

C11H17N3OS — CID 105356083

IUPAC3-ethyl-1-methyl-6-propan-2-yl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one
SMILESCCc1nn(C)c2c1NC(=O)C(C(C)C)S2
InChIInChI=1S/C11H17N3OS/c1-5-7-8-11(14(4)13-7)16-9(6(2)3)10(15)12-8/h6,9H,5H2,1-4H3,(H,12,15)
InChIKeyZEFJGAYPPAIIGI-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.05
Rot. Bonds2

About 3-ethyl-1-methyl-6-propan-2-yl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one

3-ethyl-1-methyl-6-propan-2-yl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one (PubChem CID 105356083) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-ethyl-1-methyl-6-propan-2-yl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one.

Molecular Properties

Compound Name3-ethyl-1-methyl-6-propan-2-yl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one
PubChem CID105356083
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name3-ethyl-1-methyl-6-propan-2-yl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one
SMILESCCc1nn(C)c2c1NC(=O)C(C(C)C)S2
InChIInChI=1S/C11H17N3OS/c1-5-7-8-11(14(4)13-7)16-9(6(2)3)10(15)12-8/h6,9H,5H2,1-4H3,(H,12,15)
InChIKeyZEFJGAYPPAIIGI-UHFFFAOYSA-N
XLogP2.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-Dimethyl-1,4-dihydropyrazolo(3,4-b)(1,4)thiazin-5(6H)-one
CID 286495
Propionic acid,2-[(4-amino-1,3-dimethyl-1h-pyrazol-5-yl)thio]-,d-lactam
CID 6432078
1-cyclohexyl-3-methyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one
CID 23732598
3-cyclohexyl-1-methyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one
CID 24098335
6-ethyl-1,3-dimethyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one
CID 105356049
3,6-diethyl-1-methyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one
CID 105356050
6-ethyl-1-methyl-3-propyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one
CID 105356055
1,6-diethyl-3-methyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one
CID 105356070
1,3-dimethyl-6-propan-2-yl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one
CID 105356081
1-ethyl-3-methyl-6-propan-2-yl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one
CID 105356097
1,3,6,6-tetramethyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one
CID 105356105
3-ethyl-1,6,6-trimethyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one
CID 105356106

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-6-propan-2-yl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one?
The IUPAC name of 3-ethyl-1-methyl-6-propan-2-yl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one (CID 105356083) is 3-ethyl-1-methyl-6-propan-2-yl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one.
What is the SMILES notation for 3-ethyl-1-methyl-6-propan-2-yl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one?
The canonical SMILES for 3-ethyl-1-methyl-6-propan-2-yl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one is CCc1nn(C)c2c1NC(=O)C(C(C)C)S2.
What is the InChIKey of 3-ethyl-1-methyl-6-propan-2-yl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one?
The InChIKey is ZEFJGAYPPAIIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-5-7-8-11(14(4)13-7)16-9(6(2)3)10(15)12-8/h6,9H,5H2,1-4H3,(H,12,15).
What are the key properties of 3-ethyl-1-methyl-6-propan-2-yl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one?
3-ethyl-1-methyl-6-propan-2-yl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one has a molecular weight of 239.34 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-6-propan-2-yl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one is sourced from PubChem (CID 105356083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).