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

C15H9N3OS2 — CID 86264452

IUPACN-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1nc2ccccc2s1
InChIInChI=1S/C15H9N3OS2/c19-13(14-16-9-5-1-3-7-11(9)20-14)18-15-17-10-6-2-4-8-12(10)21-15/h1-8H,(H,17,18,19)
InChIKeyQRWVXFMPSLPFDR-UHFFFAOYSA-N
MW311.39 g/mol
LogP4.16
Rot. Bonds2

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

N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide (PubChem CID 86264452) has the molecular formula C15H9N3OS2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
PubChem CID86264452
Molecular FormulaC15H9N3OS2
Molecular Weight311.39 g/mol
Exact Mass311.02
IUPAC NameN-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1nc2ccccc2s1
InChIInChI=1S/C15H9N3OS2/c19-13(14-16-9-5-1-3-7-11(9)20-14)18-15-17-10-6-2-4-8-12(10)21-15/h1-8H,(H,17,18,19)
InChIKeyQRWVXFMPSLPFDR-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-(4-bromo-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 7189855
N-phenyl-1,3-benzothiazole-2-carboxamide
CID 900706
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
N-(1,3-benzothiazol-2-yl)-1-methylpyrrole-2-carboxamide
CID 110467037
N-(2-methylphenyl)-1,3-benzothiazole-2-carboxamide
CID 2445261
N-(2-fluorophenyl)-1,3-benzothiazole-2-carboxamide
CID 5124389
2-amino-N-(1,3-benzothiazol-2-yl)benzamide
CID 828314
N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 30715657
N-(1,3-benzothiazol-2-yl)-2-hydrazinylbenzamide
CID 62236744
3,5-diamino-N-(1,3-benzothiazol-2-yl)benzamide
CID 61092934
6-(1,3-benzothiazol-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 43558353
N-(1,3-benzothiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 43952349

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide (CID 86264452) is N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide is O=C(Nc1nc2ccccc2s1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide?
The InChIKey is QRWVXFMPSLPFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3OS2/c19-13(14-16-9-5-1-3-7-11(9)20-14)18-15-17-10-6-2-4-8-12(10)21-15/h1-8H,(H,17,18,19).
What are the key properties of N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide?
N-(1,3-benzothiazol-2-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-2-yl)-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 86264452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).