N-(1,3-benzothiazol-2-yl)-4-imidazol-1-ylbenzamide

C17H12N4OS — CID 31533716

IUPACN-(1,3-benzothiazol-2-yl)-4-imidazol-1-ylbenzamide
SMILESO=C(Nc1nc2ccccc2s1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H12N4OS/c22-16(20-17-19-14-3-1-2-4-15(14)23-17)12-5-7-13(8-6-12)21-10-9-18-11-21/h1-11H,(H,19,20,22)
InChIKeySDLKIVYGTMLKLK-UHFFFAOYSA-N
MW320.38 g/mol
LogP3.73
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-4-imidazol-1-ylbenzamide

N-(1,3-benzothiazol-2-yl)-4-imidazol-1-ylbenzamide (PubChem CID 31533716) has the molecular formula C17H12N4OS and a molecular weight of 320.38 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-imidazol-1-ylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-imidazol-1-ylbenzamide
PubChem CID31533716
Molecular FormulaC17H12N4OS
Molecular Weight320.38 g/mol
Exact Mass320.07
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-imidazol-1-ylbenzamide
SMILESO=C(Nc1nc2ccccc2s1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H12N4OS/c22-16(20-17-19-14-3-1-2-4-15(14)23-17)12-5-7-13(8-6-12)21-10-9-18-11-21/h1-11H,(H,19,20,22)
InChIKeySDLKIVYGTMLKLK-UHFFFAOYSA-N
XLogP3.73
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
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N-(2-aminophenyl)-4-imidazol-1-ylbenzamide
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N-(1,3-benzothiazol-2-yl)-2-(4-pyrrol-1-ylphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-4-imidazol-1-ylbenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-imidazol-1-ylbenzamide (CID 31533716) is N-(1,3-benzothiazol-2-yl)-4-imidazol-1-ylbenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-imidazol-1-ylbenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-imidazol-1-ylbenzamide is O=C(Nc1nc2ccccc2s1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-imidazol-1-ylbenzamide?
The InChIKey is SDLKIVYGTMLKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4OS/c22-16(20-17-19-14-3-1-2-4-15(14)23-17)12-5-7-13(8-6-12)21-10-9-18-11-21/h1-11H,(H,19,20,22).
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-imidazol-1-ylbenzamide?
N-(1,3-benzothiazol-2-yl)-4-imidazol-1-ylbenzamide has a molecular weight of 320.38 g/mol, XLogP of 3.73, 3 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)-4-imidazol-1-ylbenzamide is sourced from PubChem (CID 31533716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).