N-benzo[g][1,3]benzothiazol-2-ylbenzamide

C18H12N2OS — CID 744008

IUPACN-benzo[g][1,3]benzothiazol-2-ylbenzamide
SMILESO=C(Nc1nc2ccc3ccccc3c2s1)c1ccccc1
InChIInChI=1S/C18H12N2OS/c21-17(13-7-2-1-3-8-13)20-18-19-15-11-10-12-6-4-5-9-14(12)16(15)22-18/h1-11H,(H,19,20,21)
InChIKeyVRZDFLCRGPDUNI-UHFFFAOYSA-N
MW304.37 g/mol
LogP4.70
Rot. Bonds2

About N-benzo[g][1,3]benzothiazol-2-ylbenzamide

N-benzo[g][1,3]benzothiazol-2-ylbenzamide (PubChem CID 744008) has the molecular formula C18H12N2OS and a molecular weight of 304.37 g/mol. Its IUPAC name is N-benzo[g][1,3]benzothiazol-2-ylbenzamide.

Molecular Properties

Compound NameN-benzo[g][1,3]benzothiazol-2-ylbenzamide
PubChem CID744008
Molecular FormulaC18H12N2OS
Molecular Weight304.37 g/mol
Exact Mass304.07
IUPAC NameN-benzo[g][1,3]benzothiazol-2-ylbenzamide
SMILESO=C(Nc1nc2ccc3ccccc3c2s1)c1ccccc1
InChIInChI=1S/C18H12N2OS/c21-17(13-7-2-1-3-8-13)20-18-19-15-11-10-12-6-4-5-9-14(12)16(15)22-18/h1-11H,(H,19,20,21)
InChIKeyVRZDFLCRGPDUNI-UHFFFAOYSA-N
XLogP4.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzo[g][1,3]benzothiazol-2-ylbenzamide?
The IUPAC name of N-benzo[g][1,3]benzothiazol-2-ylbenzamide (CID 744008) is N-benzo[g][1,3]benzothiazol-2-ylbenzamide.
What is the SMILES notation for N-benzo[g][1,3]benzothiazol-2-ylbenzamide?
The canonical SMILES for N-benzo[g][1,3]benzothiazol-2-ylbenzamide is O=C(Nc1nc2ccc3ccccc3c2s1)c1ccccc1.
What is the InChIKey of N-benzo[g][1,3]benzothiazol-2-ylbenzamide?
The InChIKey is VRZDFLCRGPDUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2OS/c21-17(13-7-2-1-3-8-13)20-18-19-15-11-10-12-6-4-5-9-14(12)16(15)22-18/h1-11H,(H,19,20,21).
What are the key properties of N-benzo[g][1,3]benzothiazol-2-ylbenzamide?
N-benzo[g][1,3]benzothiazol-2-ylbenzamide has a molecular weight of 304.37 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[g][1,3]benzothiazol-2-ylbenzamide is sourced from PubChem (CID 744008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).