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

C11H17N3OS — CID 105356055

IUPAC6-ethyl-1-methyl-3-propyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one
SMILESCCCc1nn(C)c2c1NC(=O)C(CC)S2
InChIInChI=1S/C11H17N3OS/c1-4-6-7-9-11(14(3)13-7)16-8(5-2)10(15)12-9/h8H,4-6H2,1-3H3,(H,12,15)
InChIKeyGJVIPPJJXZKVLS-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.20
Rot. Bonds3

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

6-ethyl-1-methyl-3-propyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one (PubChem CID 105356055) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 6-ethyl-1-methyl-3-propyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one.

Molecular Properties

Compound Name6-ethyl-1-methyl-3-propyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one
PubChem CID105356055
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name6-ethyl-1-methyl-3-propyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one
SMILESCCCc1nn(C)c2c1NC(=O)C(CC)S2
InChIInChI=1S/C11H17N3OS/c1-4-6-7-9-11(14(3)13-7)16-8(5-2)10(15)12-9/h8H,4-6H2,1-3H3,(H,12,15)
InChIKeyGJVIPPJJXZKVLS-UHFFFAOYSA-N
XLogP2.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.20
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
5-(3-Methoxypropylsulfanyl)-1-methyl-3-propylpyrazol-4-amine
CID 66018548
5-(2-Methoxyethylsulfanyl)-1-methyl-3-propylpyrazol-4-amine
CID 66018739
Methyl 3-(4-amino-1-methyl-3-propylpyrazol-5-yl)sulfanylpropanoate
CID 66018935
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
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
3-ethyl-1-methyl-6-propan-2-yl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one
CID 105356083

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-methyl-3-propyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one?
The IUPAC name of 6-ethyl-1-methyl-3-propyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one (CID 105356055) is 6-ethyl-1-methyl-3-propyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one.
What is the SMILES notation for 6-ethyl-1-methyl-3-propyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one?
The canonical SMILES for 6-ethyl-1-methyl-3-propyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one is CCCc1nn(C)c2c1NC(=O)C(CC)S2.
What is the InChIKey of 6-ethyl-1-methyl-3-propyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one?
The InChIKey is GJVIPPJJXZKVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-4-6-7-9-11(14(3)13-7)16-8(5-2)10(15)12-9/h8H,4-6H2,1-3H3,(H,12,15).
What are the key properties of 6-ethyl-1-methyl-3-propyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one?
6-ethyl-1-methyl-3-propyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one has a molecular weight of 239.34 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-methyl-3-propyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one is sourced from PubChem (CID 105356055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).