N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-2-carboxamide

C15H9N3OS2 — CID 18585512

IUPACN-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-2-carboxamide
SMILESO=C(Nc1ccc2scnc2c1)c1nc2ccccc2s1
InChIInChI=1S/C15H9N3OS2/c19-14(15-18-10-3-1-2-4-13(10)21-15)17-9-5-6-12-11(7-9)16-8-20-12/h1-8H,(H,17,19)
InChIKeyYIKZARXKVKHBGV-UHFFFAOYSA-N
MW311.39 g/mol
LogP4.16
Rot. Bonds2

About N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-2-carboxamide

N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-2-carboxamide (PubChem CID 18585512) 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-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-2-carboxamide
PubChem CID18585512
Molecular FormulaC15H9N3OS2
Molecular Weight311.39 g/mol
Exact Mass311.02
IUPAC NameN-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-2-carboxamide
SMILESO=C(Nc1ccc2scnc2c1)c1nc2ccccc2s1
InChIInChI=1S/C15H9N3OS2/c19-14(15-18-10-3-1-2-4-13(10)21-15)17-9-5-6-12-11(7-9)16-8-20-12/h1-8H,(H,17,19)
InChIKeyYIKZARXKVKHBGV-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-phenyl-1,3-benzothiazole-2-carboxamide
CID 900706
N-(2-methyl-4-pyridinyl)-1,3-benzothiazole-2-carboxamide
CID 110700628
N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-5-carboxamide
CID 131934820
N-(1,3-dioxoisoindol-5-yl)-1,3-benzothiazole-2-carboxamide
CID 5240847
N-(4-methoxyphenyl)-1,3-benzothiazole-2-carboxamide
CID 724615
N-(1,3-benzothiazol-5-yl)-2,5-dichlorothiophene-3-carboxamide
CID 16804006
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
N-[3-(1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole-6-carboxamide
CID 7096358
N-(1,3-benzothiazol-5-yl)-3-methylsulfonylbenzamide
CID 18585554
N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-1,3-benzothiazole-2-carboxamide
CID 122297707
N-(1,3-benzothiazol-5-yl)-3-methylthiophene-2-carboxamide
CID 112525687
N-[3-(1,3-benzothiazole-2-carbonylamino)-4-pyridinyl]-1,3-benzothiazole-2-carboxamide
CID 3308592

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-2-carboxamide (CID 18585512) is N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-2-carboxamide is O=C(Nc1ccc2scnc2c1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-2-carboxamide?
The InChIKey is YIKZARXKVKHBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3OS2/c19-14(15-18-10-3-1-2-4-13(10)21-15)17-9-5-6-12-11(7-9)16-8-20-12/h1-8H,(H,17,19).
What are the key properties of N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-2-carboxamide?
N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-2-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-2-carboxamide is sourced from PubChem (CID 18585512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).