N-(1,3-benzothiazol-2-yl)-3-methylbenzamide

C15H12N2OS — CID 822875

IUPACN-(1,3-benzothiazol-2-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2nc3ccccc3s2)c1
InChIInChI=1S/C15H12N2OS/c1-10-5-4-6-11(9-10)14(18)17-15-16-12-7-2-3-8-13(12)19-15/h2-9H,1H3,(H,16,17,18)
InChIKeyRFPQSFCICWNNNL-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.86
Rot. Bonds2

About N-(1,3-benzothiazol-2-yl)-3-methylbenzamide

N-(1,3-benzothiazol-2-yl)-3-methylbenzamide (PubChem CID 822875) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-3-methylbenzamide
PubChem CID822875
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC NameN-(1,3-benzothiazol-2-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2nc3ccccc3s2)c1
InChIInChI=1S/C15H12N2OS/c1-10-5-4-6-11(9-10)14(18)17-15-16-12-7-2-3-8-13(12)19-15/h2-9H,1H3,(H,16,17,18)
InChIKeyRFPQSFCICWNNNL-UHFFFAOYSA-N
XLogP3.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-3-methylbenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-3-methylbenzamide (CID 822875) is N-(1,3-benzothiazol-2-yl)-3-methylbenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-3-methylbenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2nc3ccccc3s2)c1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-3-methylbenzamide?
The InChIKey is RFPQSFCICWNNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-10-5-4-6-11(9-10)14(18)17-15-16-12-7-2-3-8-13(12)19-15/h2-9H,1H3,(H,16,17,18).
What are the key properties of N-(1,3-benzothiazol-2-yl)-3-methylbenzamide?
N-(1,3-benzothiazol-2-yl)-3-methylbenzamide has a molecular weight of 268.34 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-3-methylbenzamide is sourced from PubChem (CID 822875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).