N-(2-methyl-1,3-benzothiazol-6-yl)benzamide

C15H12N2OS — CID 2729277

IUPACN-(2-methyl-1,3-benzothiazol-6-yl)benzamide
SMILESCc1nc2ccc(NC(=O)c3ccccc3)cc2s1
InChIInChI=1S/C15H12N2OS/c1-10-16-13-8-7-12(9-14(13)19-10)17-15(18)11-5-3-2-4-6-11/h2-9H,1H3,(H,17,18)
InChIKeyHAJUZHWOPHZKNZ-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.86
Rot. Bonds2

About N-(2-methyl-1,3-benzothiazol-6-yl)benzamide

N-(2-methyl-1,3-benzothiazol-6-yl)benzamide (PubChem CID 2729277) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzothiazol-6-yl)benzamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzothiazol-6-yl)benzamide
PubChem CID2729277
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC NameN-(2-methyl-1,3-benzothiazol-6-yl)benzamide
SMILESCc1nc2ccc(NC(=O)c3ccccc3)cc2s1
InChIInChI=1S/C15H12N2OS/c1-10-16-13-8-7-12(9-14(13)19-10)17-15(18)11-5-3-2-4-6-11/h2-9H,1H3,(H,17,18)
InChIKeyHAJUZHWOPHZKNZ-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-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
The IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)benzamide (CID 2729277) is N-(2-methyl-1,3-benzothiazol-6-yl)benzamide.
What is the SMILES notation for N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
The canonical SMILES for N-(2-methyl-1,3-benzothiazol-6-yl)benzamide is Cc1nc2ccc(NC(=O)c3ccccc3)cc2s1.
What is the InChIKey of N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
The InChIKey is HAJUZHWOPHZKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-10-16-13-8-7-12(9-14(13)19-10)17-15(18)11-5-3-2-4-6-11/h2-9H,1H3,(H,17,18).
What are the key properties of N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
N-(2-methyl-1,3-benzothiazol-6-yl)benzamide 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-(2-methyl-1,3-benzothiazol-6-yl)benzamide is sourced from PubChem (CID 2729277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).