4-ethyl-1,3-dimethylpyrazolo[5,4-b][1,4]thiazin-5-one

C9H13N3OS — CID 126477146

IUPAC4-ethyl-1,3-dimethylpyrazolo[5,4-b][1,4]thiazin-5-one
SMILESCCN1C(=O)CSc2c1c(C)nn2C
InChIInChI=1S/C9H13N3OS/c1-4-12-7(13)5-14-9-8(12)6(2)10-11(9)3/h4-5H2,1-3H3
InChIKeyMNBLSOSPRHXQPX-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.19
Rot. Bonds1

About 4-ethyl-1,3-dimethylpyrazolo[5,4-b][1,4]thiazin-5-one

4-ethyl-1,3-dimethylpyrazolo[5,4-b][1,4]thiazin-5-one (PubChem CID 126477146) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 4-ethyl-1,3-dimethylpyrazolo[5,4-b][1,4]thiazin-5-one.

Molecular Properties

Compound Name4-ethyl-1,3-dimethylpyrazolo[5,4-b][1,4]thiazin-5-one
PubChem CID126477146
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name4-ethyl-1,3-dimethylpyrazolo[5,4-b][1,4]thiazin-5-one
SMILESCCN1C(=O)CSc2c1c(C)nn2C
InChIInChI=1S/C9H13N3OS/c1-4-12-7(13)5-14-9-8(12)6(2)10-11(9)3/h4-5H2,1-3H3
InChIKeyMNBLSOSPRHXQPX-UHFFFAOYSA-N
XLogP1.19
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.19
H-Bond Donors ≤ 50
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
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
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
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

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,3-dimethylpyrazolo[5,4-b][1,4]thiazin-5-one?
The IUPAC name of 4-ethyl-1,3-dimethylpyrazolo[5,4-b][1,4]thiazin-5-one (CID 126477146) is 4-ethyl-1,3-dimethylpyrazolo[5,4-b][1,4]thiazin-5-one.
What is the SMILES notation for 4-ethyl-1,3-dimethylpyrazolo[5,4-b][1,4]thiazin-5-one?
The canonical SMILES for 4-ethyl-1,3-dimethylpyrazolo[5,4-b][1,4]thiazin-5-one is CCN1C(=O)CSc2c1c(C)nn2C.
What is the InChIKey of 4-ethyl-1,3-dimethylpyrazolo[5,4-b][1,4]thiazin-5-one?
The InChIKey is MNBLSOSPRHXQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-4-12-7(13)5-14-9-8(12)6(2)10-11(9)3/h4-5H2,1-3H3.
What are the key properties of 4-ethyl-1,3-dimethylpyrazolo[5,4-b][1,4]thiazin-5-one?
4-ethyl-1,3-dimethylpyrazolo[5,4-b][1,4]thiazin-5-one has a molecular weight of 211.29 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,3-dimethylpyrazolo[5,4-b][1,4]thiazin-5-one is sourced from PubChem (CID 126477146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).