2-methyl-3-(2H-tetrazol-5-yl)-1,2-benzothiazin-4-ol

C10H9N5OS — CID 135838383

IUPAC2-methyl-3-(2H-tetrazol-5-yl)-1,2-benzothiazin-4-ol
SMILESCN1Sc2ccccc2C(O)=C1c1nn[nH]n1
InChIInChI=1S/C10H9N5OS/c1-15-8(10-11-13-14-12-10)9(16)6-4-2-3-5-7(6)17-15/h2-5,16H,1H3,(H,11,12,13,14)
InChIKeyZZABDMSSLUOLES-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.54
Rot. Bonds1

About 2-methyl-3-(2H-tetrazol-5-yl)-1,2-benzothiazin-4-ol

2-methyl-3-(2H-tetrazol-5-yl)-1,2-benzothiazin-4-ol (PubChem CID 135838383) has the molecular formula C10H9N5OS and a molecular weight of 247.28 g/mol. Its IUPAC name is 2-methyl-3-(2H-tetrazol-5-yl)-1,2-benzothiazin-4-ol.

Molecular Properties

Compound Name2-methyl-3-(2H-tetrazol-5-yl)-1,2-benzothiazin-4-ol
PubChem CID135838383
Molecular FormulaC10H9N5OS
Molecular Weight247.28 g/mol
Exact Mass247.05
IUPAC Name2-methyl-3-(2H-tetrazol-5-yl)-1,2-benzothiazin-4-ol
SMILESCN1Sc2ccccc2C(O)=C1c1nn[nH]n1
InChIInChI=1S/C10H9N5OS/c1-15-8(10-11-13-14-12-10)9(16)6-4-2-3-5-7(6)17-15/h2-5,16H,1H3,(H,11,12,13,14)
InChIKeyZZABDMSSLUOLES-UHFFFAOYSA-N
XLogP1.54
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2H-tetrazol-5-yl)-1,2-benzothiazin-4-ol?
The IUPAC name of 2-methyl-3-(2H-tetrazol-5-yl)-1,2-benzothiazin-4-ol (CID 135838383) is 2-methyl-3-(2H-tetrazol-5-yl)-1,2-benzothiazin-4-ol.
What is the SMILES notation for 2-methyl-3-(2H-tetrazol-5-yl)-1,2-benzothiazin-4-ol?
The canonical SMILES for 2-methyl-3-(2H-tetrazol-5-yl)-1,2-benzothiazin-4-ol is CN1Sc2ccccc2C(O)=C1c1nn[nH]n1.
What is the InChIKey of 2-methyl-3-(2H-tetrazol-5-yl)-1,2-benzothiazin-4-ol?
The InChIKey is ZZABDMSSLUOLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5OS/c1-15-8(10-11-13-14-12-10)9(16)6-4-2-3-5-7(6)17-15/h2-5,16H,1H3,(H,11,12,13,14).
What are the key properties of 2-methyl-3-(2H-tetrazol-5-yl)-1,2-benzothiazin-4-ol?
2-methyl-3-(2H-tetrazol-5-yl)-1,2-benzothiazin-4-ol has a molecular weight of 247.28 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2H-tetrazol-5-yl)-1,2-benzothiazin-4-ol is sourced from PubChem (CID 135838383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).