N-(1,2-benzothiazol-5-yl)-4-methoxybenzamide

C15H12N2O2S — CID 99823346

IUPACN-(1,2-benzothiazol-5-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3sncc3c2)cc1
InChIInChI=1S/C15H12N2O2S/c1-19-13-5-2-10(3-6-13)15(18)17-12-4-7-14-11(8-12)9-16-20-14/h2-9H,1H3,(H,17,18)
InChIKeyXSESIYQYJWVFMK-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.56
Rot. Bonds3

About N-(1,2-benzothiazol-5-yl)-4-methoxybenzamide

N-(1,2-benzothiazol-5-yl)-4-methoxybenzamide (PubChem CID 99823346) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-(1,2-benzothiazol-5-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(1,2-benzothiazol-5-yl)-4-methoxybenzamide
PubChem CID99823346
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC NameN-(1,2-benzothiazol-5-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3sncc3c2)cc1
InChIInChI=1S/C15H12N2O2S/c1-19-13-5-2-10(3-6-13)15(18)17-12-4-7-14-11(8-12)9-16-20-14/h2-9H,1H3,(H,17,18)
InChIKeyXSESIYQYJWVFMK-UHFFFAOYSA-N
XLogP3.56
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2-benzothiazol-5-yl)-2-methoxy-2-methylpropanamide
CID 99833360
N-(1,2-benzothiazol-5-yl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 100794232
(E)-N-(1,2-benzothiazol-5-yl)-2-methylbut-2-enamide
CID 129401437
N-(1,2-benzothiazol-5-yl)-4-ethylthiadiazole-5-carboxamide
CID 99825241
4-methoxy-N-(1H-pyrazol-4-yl)benzamide
CID 43429414
N-(4-methoxyphenyl)-1-methylpyridin-1-ium-4-carboxamide
CID 1110822
N-(3-hydroxy-4-methylphenyl)-4-methoxybenzamide
CID 1228319
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
N-(4-methoxyphenyl)isoquinoline-6-carboxamide
CID 110485186
N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 710659
4-hydrazinyl-N-(4-methoxyphenyl)benzamide
CID 62237684
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535

Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzothiazol-5-yl)-4-methoxybenzamide?
The IUPAC name of N-(1,2-benzothiazol-5-yl)-4-methoxybenzamide (CID 99823346) is N-(1,2-benzothiazol-5-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(1,2-benzothiazol-5-yl)-4-methoxybenzamide?
The canonical SMILES for N-(1,2-benzothiazol-5-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc3sncc3c2)cc1.
What is the InChIKey of N-(1,2-benzothiazol-5-yl)-4-methoxybenzamide?
The InChIKey is XSESIYQYJWVFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-19-13-5-2-10(3-6-13)15(18)17-12-4-7-14-11(8-12)9-16-20-14/h2-9H,1H3,(H,17,18).
What are the key properties of N-(1,2-benzothiazol-5-yl)-4-methoxybenzamide?
N-(1,2-benzothiazol-5-yl)-4-methoxybenzamide has a molecular weight of 284.34 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzothiazol-5-yl)-4-methoxybenzamide is sourced from PubChem (CID 99823346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).