4-methyl-1,2-dihydropyrazolo[4,3-c][1,2]benzothiazin-3-one

C10H9N3OS — CID 123312757

IUPAC4-methyl-1,2-dihydropyrazolo[4,3-c][1,2]benzothiazin-3-one
SMILESCN1Sc2ccccc2-c2[nH][nH]c(=O)c21
InChIInChI=1S/C10H9N3OS/c1-13-9-8(11-12-10(9)14)6-4-2-3-5-7(6)15-13/h2-5H,1H3,(H2,11,12,14)
InChIKeyHFXFCELWIAIXRZ-UHFFFAOYSA-N
MW219.27 g/mol
LogP1.83
Rot. Bonds

About 4-methyl-1,2-dihydropyrazolo[4,3-c][1,2]benzothiazin-3-one

4-methyl-1,2-dihydropyrazolo[4,3-c][1,2]benzothiazin-3-one (PubChem CID 123312757) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is 4-methyl-1,2-dihydropyrazolo[4,3-c][1,2]benzothiazin-3-one.

Molecular Properties

Compound Name4-methyl-1,2-dihydropyrazolo[4,3-c][1,2]benzothiazin-3-one
PubChem CID123312757
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC Name4-methyl-1,2-dihydropyrazolo[4,3-c][1,2]benzothiazin-3-one
SMILESCN1Sc2ccccc2-c2[nH][nH]c(=O)c21
InChIInChI=1S/C10H9N3OS/c1-13-9-8(11-12-10(9)14)6-4-2-3-5-7(6)15-13/h2-5H,1H3,(H2,11,12,14)
InChIKeyHFXFCELWIAIXRZ-UHFFFAOYSA-N
XLogP1.83
TPSA51.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-methylbenzo[d][1,2]benzothiazepin-7-one
CID 15268376
2,4-dihydro-1H-pyrazolo[4,3-c][1,2]benzothiazin-3-one
CID 123989227
3-(6-chloro-2-pyridinyl)-5-methyl-[1,3]oxazino[5,6-c][1,2]benzothiazine-2,4-dione
CID 57226618
3-methyl-2-phenyl-3H-1,2-benzothiazin-4-one
CID 172558194
8-methyl-9,9-dioxo-9lambda6,17-dithia-8,12,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,11(15)-pentaen-14-one
CID 12826585
2-methyl-3-(2H-tetrazol-5-yl)-1,2-benzothiazin-4-ol
CID 135838383
1,2,4,5-tetrahydrobenzo[g]indazol-3-one
CID 10397540
[2-methyl-3-(2H-tetrazol-5-yl)-1,2-benzothiazin-4-yl] benzoate
CID 57004372
(3E)-1-methyl-3-[(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)methylidene]quinoline-2,4-dione
CID 18529555
1-methyl-3-[(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)methylidene]quinoline-2,4-dione
CID 3599663
1,4-dihydrobenzo[g]quinoxaline-2,3,5,10-tetrone
CID 121014847
2-methyl-2,3-dihydro-1,3-benzothiazin-4-one
CID 59509224

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2-dihydropyrazolo[4,3-c][1,2]benzothiazin-3-one?
The IUPAC name of 4-methyl-1,2-dihydropyrazolo[4,3-c][1,2]benzothiazin-3-one (CID 123312757) is 4-methyl-1,2-dihydropyrazolo[4,3-c][1,2]benzothiazin-3-one.
What is the SMILES notation for 4-methyl-1,2-dihydropyrazolo[4,3-c][1,2]benzothiazin-3-one?
The canonical SMILES for 4-methyl-1,2-dihydropyrazolo[4,3-c][1,2]benzothiazin-3-one is CN1Sc2ccccc2-c2[nH][nH]c(=O)c21.
What is the InChIKey of 4-methyl-1,2-dihydropyrazolo[4,3-c][1,2]benzothiazin-3-one?
The InChIKey is HFXFCELWIAIXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c1-13-9-8(11-12-10(9)14)6-4-2-3-5-7(6)15-13/h2-5H,1H3,(H2,11,12,14).
What are the key properties of 4-methyl-1,2-dihydropyrazolo[4,3-c][1,2]benzothiazin-3-one?
4-methyl-1,2-dihydropyrazolo[4,3-c][1,2]benzothiazin-3-one has a molecular weight of 219.27 g/mol, XLogP of 1.83, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2-dihydropyrazolo[4,3-c][1,2]benzothiazin-3-one is sourced from PubChem (CID 123312757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).