azane;1,3-benzothiazole

C7H8N2S — CID 68815700

IUPACazane;1,3-benzothiazole
SMILESN.c1ccc2scnc2c1
InChIInChI=1S/C7H5NS.H3N/c1-2-4-7-6(3-1)8-5-9-7;/h1-5H;1H3
InChIKeySMITZPQLDRREQA-UHFFFAOYSA-N
MW152.22 g/mol
LogP2.46
Rot. Bonds

About azane;1,3-benzothiazole

azane;1,3-benzothiazole (PubChem CID 68815700) has the molecular formula C7H8N2S and a molecular weight of 152.22 g/mol. Its IUPAC name is azane;1,3-benzothiazole.

Molecular Properties

Compound Nameazane;1,3-benzothiazole
PubChem CID68815700
Molecular FormulaC7H8N2S
Molecular Weight152.22 g/mol
Exact Mass152.04
IUPAC Nameazane;1,3-benzothiazole
SMILESN.c1ccc2scnc2c1
InChIInChI=1S/C7H5NS.H3N/c1-2-4-7-6(3-1)8-5-9-7;/h1-5H;1H3
InChIKeySMITZPQLDRREQA-UHFFFAOYSA-N
XLogP2.46
TPSA47.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

octakis(1,3-benzothiazole);sulfane
CID 173324926
1,3-benzothiazole;trihydrochloride
CID 162189976
1,3-benzothiazole;zinc
CID 66588590
calcium;1,3-benzothiazole;hydride
CID 174565212
1,3-benzothiazole;thiohydroxylamine
CID 174771488
1,3-benzothiazole;quinoxaline
CID 139508476
benzene;1,3-benzothiazole;cyclohexane
CID 158485406
1,3-benzothiazole;ethane-1,2-diol
CID 158729735
1,3-benzothiazole;formamide
CID 160548939
1,3-benzothiazole;isothiocyanic acid
CID 175251975
CID 131664049
CID 131664049
1,3-benzothiazole;sulfuric acid
CID 174851582

Frequently Asked Questions

What is the IUPAC name of azane;1,3-benzothiazole?
The IUPAC name of azane;1,3-benzothiazole (CID 68815700) is azane;1,3-benzothiazole.
What is the SMILES notation for azane;1,3-benzothiazole?
The canonical SMILES for azane;1,3-benzothiazole is N.c1ccc2scnc2c1.
What is the InChIKey of azane;1,3-benzothiazole?
The InChIKey is SMITZPQLDRREQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NS.H3N/c1-2-4-7-6(3-1)8-5-9-7;/h1-5H;1H3.
What are the key properties of azane;1,3-benzothiazole?
azane;1,3-benzothiazole has a molecular weight of 152.22 g/mol, XLogP of 2.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1,3-benzothiazole is sourced from PubChem (CID 68815700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).