4-benzylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one

C13H12N4OS — CID 135496138

IUPAC4-benzylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one
SMILESCc1cc2[nH]c(=O)s/c(=N\Cc3ccccc3)n2n1
InChIInChI=1S/C13H12N4OS/c1-9-7-11-15-13(18)19-12(17(11)16-9)14-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,18)/b14-12-
InChIKeyQBRJGROIDKOQIU-OWBHPGMISA-N
MW272.33 g/mol
LogP1.49
Rot. Bonds2

About 4-benzylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one

4-benzylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one (PubChem CID 135496138) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 4-benzylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one.

Molecular Properties

Compound Name4-benzylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one
PubChem CID135496138
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name4-benzylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one
SMILESCc1cc2[nH]c(=O)s/c(=N\Cc3ccccc3)n2n1
InChIInChI=1S/C13H12N4OS/c1-9-7-11-15-13(18)19-12(17(11)16-9)14-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,18)/b14-12-
InChIKeyQBRJGROIDKOQIU-OWBHPGMISA-N
XLogP1.49
TPSA62.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135459218
7-Methyl-2-phenylpyrazolo[1,5-c][1,3,5]thiadiazin-4-one
CID 76334190
2-methyl-N-[2-(trifluoromethyl)phenyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-4-carboxamide
CID 16024368
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-6-phenylpyrimidin-4(3H)-one
CID 135876314
N-[5-methyl-2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide
CID 162667544
2-methyl-7-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CID 135590621
7-Methyl-2-phenylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135418889
7-methyl-8-phenyl-2,2-bis(trifluoromethyl)-2,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4(1H)-one
CID 1242571
N-(2-ethylphenyl)-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-4(5H)-carboxamide
CID 16011632
1-(2,5-Dimethylpyrazol-3-yl)-3-(2-phenylethyl)urea
CID 47198174
N-(2-benzyl-5-methylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide
CID 71877049
7-methyl-3-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
CID 135431807

Frequently Asked Questions

What is the IUPAC name of 4-benzylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one?
The IUPAC name of 4-benzylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one (CID 135496138) is 4-benzylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one.
What is the SMILES notation for 4-benzylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one?
The canonical SMILES for 4-benzylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one is Cc1cc2[nH]c(=O)s/c(=N\Cc3ccccc3)n2n1.
What is the InChIKey of 4-benzylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one?
The InChIKey is QBRJGROIDKOQIU-OWBHPGMISA-N. The full InChI is InChI=1S/C13H12N4OS/c1-9-7-11-15-13(18)19-12(17(11)16-9)14-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,18)/b14-12-.
What are the key properties of 4-benzylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one?
4-benzylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one has a molecular weight of 272.33 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one is sourced from PubChem (CID 135496138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).