1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]thiazine

C7H11N3S — CID 54595037

IUPAC1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]thiazine
SMILESCc1nn(C)c2c1NCCS2
InChIInChI=1S/C7H11N3S/c1-5-6-7(10(2)9-5)11-4-3-8-6/h8H,3-4H2,1-2H3
InChIKeyANHHISJPUMRETG-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.25
Rot. Bonds

About 1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]thiazine

1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]thiazine (PubChem CID 54595037) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is 1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]thiazine.

Molecular Properties

Compound Name1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]thiazine
PubChem CID54595037
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]thiazine
SMILESCc1nn(C)c2c1NCCS2
InChIInChI=1S/C7H11N3S/c1-5-6-7(10(2)9-5)11-4-3-8-6/h8H,3-4H2,1-2H3
InChIKeyANHHISJPUMRETG-UHFFFAOYSA-N
XLogP1.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]thiazine?
The IUPAC name of 1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]thiazine (CID 54595037) is 1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]thiazine.
What is the SMILES notation for 1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]thiazine?
The canonical SMILES for 1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]thiazine is Cc1nn(C)c2c1NCCS2.
What is the InChIKey of 1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]thiazine?
The InChIKey is ANHHISJPUMRETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c1-5-6-7(10(2)9-5)11-4-3-8-6/h8H,3-4H2,1-2H3.
What are the key properties of 1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]thiazine?
1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]thiazine has a molecular weight of 169.25 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]thiazine is sourced from PubChem (CID 54595037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).