1,3,6-trimethyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one

C8H11N3OS — CID 6432078

IUPAC1,3,6-trimethyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one
SMILESCc1nn(C)c2c1NC(=O)C(C)S2
InChIInChI=1S/C8H11N3OS/c1-4-6-8(11(3)10-4)13-5(2)7(12)9-6/h5H,1-3H3,(H,9,12)
InChIKeyYEMKWGPTBAAUIU-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.16
Rot. Bonds

About 1,3,6-trimethyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one

1,3,6-trimethyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one (PubChem CID 6432078) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is 1,3,6-trimethyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one.

Molecular Properties

Compound Name1,3,6-trimethyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one
PubChem CID6432078
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name1,3,6-trimethyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one
SMILESCc1nn(C)c2c1NC(=O)C(C)S2
InChIInChI=1S/C8H11N3OS/c1-4-6-8(11(3)10-4)13-5(2)7(12)9-6/h5H,1-3H3,(H,9,12)
InChIKeyYEMKWGPTBAAUIU-UHFFFAOYSA-N
XLogP1.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.16
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
1-cyclohexyl-3-methyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one
CID 23732598
1,3-dimethyl-1H,4H,5H,6H-pyrazolo[3,4-b][1,4]thiazine
CID 54595037
1,3-dimethyl-1H,4H,5H,6H-7lambda6-pyrazolo[3,4-b][1,4]thiazine-7,7-dione
CID 71758772
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

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one?
The IUPAC name of 1,3,6-trimethyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one (CID 6432078) is 1,3,6-trimethyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one.
What is the SMILES notation for 1,3,6-trimethyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one?
The canonical SMILES for 1,3,6-trimethyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one is Cc1nn(C)c2c1NC(=O)C(C)S2.
What is the InChIKey of 1,3,6-trimethyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one?
The InChIKey is YEMKWGPTBAAUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c1-4-6-8(11(3)10-4)13-5(2)7(12)9-6/h5H,1-3H3,(H,9,12).
What are the key properties of 1,3,6-trimethyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one?
1,3,6-trimethyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one has a molecular weight of 197.26 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one is sourced from PubChem (CID 6432078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).