N-(1,3-benzothiazol-2-yl)-4-methylbenzamide

C15H12N2OS — CID 4661022

IUPACN-(1,3-benzothiazol-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nc3ccccc3s2)cc1
InChIInChI=1S/C15H12N2OS/c1-10-6-8-11(9-7-10)14(18)17-15-16-12-4-2-3-5-13(12)19-15/h2-9H,1H3,(H,16,17,18)
InChIKeyWAWUISYKAPVPKW-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.86
Rot. Bonds2

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

N-(1,3-benzothiazol-2-yl)-4-methylbenzamide (PubChem CID 4661022) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-methylbenzamide
PubChem CID4661022
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nc3ccccc3s2)cc1
InChIInChI=1S/C15H12N2OS/c1-10-6-8-11(9-7-10)14(18)17-15-16-12-4-2-3-5-13(12)19-15/h2-9H,1H3,(H,16,17,18)
InChIKeyWAWUISYKAPVPKW-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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Related Compounds

Benzamide, N-2-benzothiazolyl-4-nitro-
CID 215271
Benzamide, 4-amino-N-(benzothiazol-2-yl)-
CID 37560
4-Methyl-N-(4-phenyl-2-thiazolyl)benzamide
CID 577347
N-2-Benzothiazolylbenzeneacetamide
CID 591403
N-(4-Phenyl-thiazol-2-yl)-benzamide
CID 746475
N-Benzothiazol-2-yl-benzamide
CID 689669
Benzamide, N-2-benzothiazolyl-4-fluoro-
CID 749175
N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 953485
3(2H)-Pyridazinone, 4,5-dihydro-2-(2-benzothiazolyl)-6-phenyl-
CID 364042
4-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]benzohydrazide
CID 2435403
N-(1,3-Benzothiazol-2-YL)-4-tert-butylbenzamide
CID 722343
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylthiophene-2-carboxamide
CID 8892653

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-4-methylbenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-methylbenzamide (CID 4661022) is N-(1,3-benzothiazol-2-yl)-4-methylbenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-methylbenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2nc3ccccc3s2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-methylbenzamide?
The InChIKey is WAWUISYKAPVPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-10-6-8-11(9-7-10)14(18)17-15-16-12-4-2-3-5-13(12)19-15/h2-9H,1H3,(H,16,17,18).
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-methylbenzamide?
N-(1,3-benzothiazol-2-yl)-4-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)-4-methylbenzamide is sourced from PubChem (CID 4661022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).