1,3-benzothiazole;quinoxaline

C15H11N3S — CID 139508476

IUPAC1,3-benzothiazole;quinoxaline
SMILESc1ccc2nccnc2c1.c1ccc2scnc2c1
InChIInChI=1S/C8H6N2.C7H5NS/c1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-7-6(3-1)8-5-9-7/h1-6H;1-5H
InChIKeyWCSKHSJQFUUMDC-UHFFFAOYSA-N
MW265.34 g/mol
LogP3.93
Rot. Bonds

About 1,3-benzothiazole;quinoxaline

1,3-benzothiazole;quinoxaline (PubChem CID 139508476) has the molecular formula C15H11N3S and a molecular weight of 265.34 g/mol. Its IUPAC name is 1,3-benzothiazole;quinoxaline.

Molecular Properties

Compound Name1,3-benzothiazole;quinoxaline
PubChem CID139508476
Molecular FormulaC15H11N3S
Molecular Weight265.34 g/mol
Exact Mass265.07
IUPAC Name1,3-benzothiazole;quinoxaline
SMILESc1ccc2nccnc2c1.c1ccc2scnc2c1
InChIInChI=1S/C8H6N2.C7H5NS/c1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-7-6(3-1)8-5-9-7/h1-6H;1-5H
InChIKeyWCSKHSJQFUUMDC-UHFFFAOYSA-N
XLogP3.93
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

octakis(1,3-benzothiazole);sulfane
CID 173324926
1,3-benzothiazole;trihydrochloride
CID 162189976
azane;1,3-benzothiazole
CID 68815700
1,3-benzothiazole;zinc
CID 66588590
calcium;1,3-benzothiazole;hydride
CID 174565212
1,3-benzothiazole;thiohydroxylamine
CID 174771488
benzene;1,3-benzothiazole;cyclohexane
CID 158485406
1,3-benzothiazole;ethane-1,2-diol
CID 158729735
1,3-benzothiazole;isothiocyanic acid
CID 175251975
CID 131664049
CID 131664049
1,3-benzothiazole;sulfuric acid
CID 174851582
1,3-benzothiazole;formamide
CID 160548939

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazole;quinoxaline?
The IUPAC name of 1,3-benzothiazole;quinoxaline (CID 139508476) is 1,3-benzothiazole;quinoxaline.
What is the SMILES notation for 1,3-benzothiazole;quinoxaline?
The canonical SMILES for 1,3-benzothiazole;quinoxaline is c1ccc2nccnc2c1.c1ccc2scnc2c1.
What is the InChIKey of 1,3-benzothiazole;quinoxaline?
The InChIKey is WCSKHSJQFUUMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2.C7H5NS/c1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-7-6(3-1)8-5-9-7/h1-6H;1-5H.
What are the key properties of 1,3-benzothiazole;quinoxaline?
1,3-benzothiazole;quinoxaline has a molecular weight of 265.34 g/mol, XLogP of 3.93, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazole;quinoxaline is sourced from PubChem (CID 139508476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).