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

C11H17N3OS — CID 105356097

IUPAC1-ethyl-3-methyl-6-propan-2-yl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one
SMILESCCn1nc(C)c2c1SC(C(C)C)C(=O)N2
InChIInChI=1S/C11H17N3OS/c1-5-14-11-8(7(4)13-14)12-10(15)9(16-11)6(2)3/h6,9H,5H2,1-4H3,(H,12,15)
InChIKeyXKJBOQGINYHBHD-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.28
Rot. Bonds2

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

1-ethyl-3-methyl-6-propan-2-yl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one (PubChem CID 105356097) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-ethyl-3-methyl-6-propan-2-yl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one.

Molecular Properties

Compound Name1-ethyl-3-methyl-6-propan-2-yl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one
PubChem CID105356097
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name1-ethyl-3-methyl-6-propan-2-yl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one
SMILESCCn1nc(C)c2c1SC(C(C)C)C(=O)N2
InChIInChI=1S/C11H17N3OS/c1-5-14-11-8(7(4)13-14)12-10(15)9(16-11)6(2)3/h6,9H,5H2,1-4H3,(H,12,15)
InChIKeyXKJBOQGINYHBHD-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-Dimethyl-1,4-dihydropyrazolo(3,4-b)(1,4)thiazin-5(6H)-one
CID 286495
4-Ethyl-1,3-dimethylpyrazolo[5,4-b][1,4]thiazin-5-one
CID 126477146
1,3-Dimethyl-4-propan-2-ylpyrazolo[5,4-b][1,4]thiazin-5-one
CID 143820903
1-(3-amino-2-methylsulfanyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone
CID 155691673
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
1,3-dimethyl-1H,4H,5H,6H-pyrazolo[3,4-b][1,4]thiazine
CID 54595037
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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-6-propan-2-yl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one?
The IUPAC name of 1-ethyl-3-methyl-6-propan-2-yl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one (CID 105356097) is 1-ethyl-3-methyl-6-propan-2-yl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one.
What is the SMILES notation for 1-ethyl-3-methyl-6-propan-2-yl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one?
The canonical SMILES for 1-ethyl-3-methyl-6-propan-2-yl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one is CCn1nc(C)c2c1SC(C(C)C)C(=O)N2.
What is the InChIKey of 1-ethyl-3-methyl-6-propan-2-yl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one?
The InChIKey is XKJBOQGINYHBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-5-14-11-8(7(4)13-14)12-10(15)9(16-11)6(2)3/h6,9H,5H2,1-4H3,(H,12,15).
What are the key properties of 1-ethyl-3-methyl-6-propan-2-yl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one?
1-ethyl-3-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 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-6-propan-2-yl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one is sourced from PubChem (CID 105356097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).