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

C10H15N3OS — CID 105356081

IUPAC1,3-dimethyl-6-propan-2-yl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one
SMILESCc1nn(C)c2c1NC(=O)C(C(C)C)S2
InChIInChI=1S/C10H15N3OS/c1-5(2)8-9(14)11-7-6(3)12-13(4)10(7)15-8/h5,8H,1-4H3,(H,11,14)
InChIKeyXPZRTKNFRQCURF-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.80
Rot. Bonds1

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

1,3-dimethyl-6-propan-2-yl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one (PubChem CID 105356081) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 1,3-dimethyl-6-propan-2-yl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one.

Molecular Properties

Compound Name1,3-dimethyl-6-propan-2-yl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one
PubChem CID105356081
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name1,3-dimethyl-6-propan-2-yl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one
SMILESCc1nn(C)c2c1NC(=O)C(C(C)C)S2
InChIInChI=1S/C10H15N3OS/c1-5(2)8-9(14)11-7-6(3)12-13(4)10(7)15-8/h5,8H,1-4H3,(H,11,14)
InChIKeyXPZRTKNFRQCURF-UHFFFAOYSA-N
XLogP1.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.80
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
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 1,3-dimethyl-6-propan-2-yl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one?
The IUPAC name of 1,3-dimethyl-6-propan-2-yl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one (CID 105356081) is 1,3-dimethyl-6-propan-2-yl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one.
What is the SMILES notation for 1,3-dimethyl-6-propan-2-yl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one?
The canonical SMILES for 1,3-dimethyl-6-propan-2-yl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one is Cc1nn(C)c2c1NC(=O)C(C(C)C)S2.
What is the InChIKey of 1,3-dimethyl-6-propan-2-yl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one?
The InChIKey is XPZRTKNFRQCURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-5(2)8-9(14)11-7-6(3)12-13(4)10(7)15-8/h5,8H,1-4H3,(H,11,14).
What are the key properties of 1,3-dimethyl-6-propan-2-yl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one?
1,3-dimethyl-6-propan-2-yl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one has a molecular weight of 225.32 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-propan-2-yl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one is sourced from PubChem (CID 105356081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).