N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-5-carboxamide

C15H9N3OS2 — CID 131934820

IUPACN-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-5-carboxamide
SMILESO=C(Nc1ccc2scnc2c1)c1ccc2scnc2c1
InChIInChI=1S/C15H9N3OS2/c19-15(9-1-3-13-11(5-9)16-7-20-13)18-10-2-4-14-12(6-10)17-8-21-14/h1-8H,(H,18,19)
InChIKeyWLIOPUKJHPIQGB-UHFFFAOYSA-N
MW311.39 g/mol
LogP4.16
Rot. Bonds2

About N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-5-carboxamide

N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-5-carboxamide (PubChem CID 131934820) has the molecular formula C15H9N3OS2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-5-carboxamide
PubChem CID131934820
Molecular FormulaC15H9N3OS2
Molecular Weight311.39 g/mol
Exact Mass311.02
IUPAC NameN-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-5-carboxamide
SMILESO=C(Nc1ccc2scnc2c1)c1ccc2scnc2c1
InChIInChI=1S/C15H9N3OS2/c19-15(9-1-3-13-11(5-9)16-7-20-13)18-10-2-4-14-12(6-10)17-8-21-14/h1-8H,(H,18,19)
InChIKeyWLIOPUKJHPIQGB-UHFFFAOYSA-N
XLogP4.16
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-5-yl)-3,4,5-trimethoxybenzamide
CID 18585505
N-(1,3-benzothiazol-5-yl)-3-methylsulfonylbenzamide
CID 18585554
N-(1,3-benzothiazol-5-yl)-4-butoxybenzamide
CID 18585507
N-(1,3-benzothiazol-5-yl)-2,5-dichlorothiophene-3-carboxamide
CID 16804006
N-(1,3-benzothiazol-6-yl)-3-hydroxy-4-methylbenzamide
CID 103956522
4-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxybenzamide
CID 107802439
N-(1,3-benzothiazol-5-yl)-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166413965
N-(1,3-benzothiazol-5-yl)-3-methylthiophene-2-carboxamide
CID 112525687
N-(1H-pyrazol-5-yl)-1,3-benzothiazole-5-carboxamide
CID 39834270
N-(1,3-benzothiazol-5-yl)-3-butoxybenzamide
CID 18585520
N-(1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 2337792
N-(1,3-benzothiazol-5-yl)-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide
CID 112525731

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-5-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-5-carboxamide (CID 131934820) is N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-5-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-5-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-5-carboxamide is O=C(Nc1ccc2scnc2c1)c1ccc2scnc2c1.
What is the InChIKey of N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-5-carboxamide?
The InChIKey is WLIOPUKJHPIQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3OS2/c19-15(9-1-3-13-11(5-9)16-7-20-13)18-10-2-4-14-12(6-10)17-8-21-14/h1-8H,(H,18,19).
What are the key properties of N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-5-carboxamide?
N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-5-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-5-carboxamide is sourced from PubChem (CID 131934820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).