N-(1,3-benzothiazol-2-ylmethyl)-5-bromo-2-hydroxybenzamide

C15H11BrN2O2S — CID 43004261

IUPACN-(1,3-benzothiazol-2-ylmethyl)-5-bromo-2-hydroxybenzamide
SMILESO=C(NCc1nc2ccccc2s1)c1cc(Br)ccc1O
InChIInChI=1S/C15H11BrN2O2S/c16-9-5-6-12(19)10(7-9)15(20)17-8-14-18-11-3-1-2-4-13(11)21-14/h1-7,19H,8H2,(H,17,20)
InChIKeyWBQUCBVLTUOGSN-UHFFFAOYSA-N
MW363.24 g/mol
LogP3.69
Rot. Bonds3

About N-(1,3-benzothiazol-2-ylmethyl)-5-bromo-2-hydroxybenzamide

N-(1,3-benzothiazol-2-ylmethyl)-5-bromo-2-hydroxybenzamide (PubChem CID 43004261) has the molecular formula C15H11BrN2O2S and a molecular weight of 363.24 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-5-bromo-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-5-bromo-2-hydroxybenzamide
PubChem CID43004261
Molecular FormulaC15H11BrN2O2S
Molecular Weight363.24 g/mol
Exact Mass361.97
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-5-bromo-2-hydroxybenzamide
SMILESO=C(NCc1nc2ccccc2s1)c1cc(Br)ccc1O
InChIInChI=1S/C15H11BrN2O2S/c16-9-5-6-12(19)10(7-9)15(20)17-8-14-18-11-3-1-2-4-13(11)21-14/h1-7,19H,8H2,(H,17,20)
InChIKeyWBQUCBVLTUOGSN-UHFFFAOYSA-N
XLogP3.69
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxy-4-methylbenzamide
CID 31100846
N-(1,3-benzothiazol-2-ylmethyl)-2-bromo-5-fluorobenzamide
CID 18110803
N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxy-4-methoxybenzamide
CID 31100874
5-bromo-2-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 103616957
N-[3-(1,3-benzothiazol-2-yl)propyl]-5-bromo-2-fluorobenzamide
CID 46426520
N-[3-(1,3-benzothiazol-2-yl)propyl]-5-chloro-2-hydroxybenzamide
CID 43069942
N-(1,3-benzothiazol-2-ylmethyl)-4-bromo-1-ethylpyrrole-2-carboxamide
CID 60954775
N-(1,3-benzothiazol-2-ylmethyl)-2-nitrobenzamide
CID 18110615
N-(1,3-benzothiazol-2-ylmethyl)-1-(4-bromophenyl)pyrazole-4-carboxamide
CID 55773919
N-(1,3-benzothiazol-2-ylmethyl)thiophene-2-carboxamide
CID 18110672
1-(1,3-benzothiazol-2-ylmethyl)-3-(4-bromo-2,6-dimethylphenyl)urea
CID 55748105
N-(1,3-benzothiazol-2-ylmethyl)-3-methyl-2-nitrobenzamide
CID 18110543

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-5-bromo-2-hydroxybenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-5-bromo-2-hydroxybenzamide (CID 43004261) is N-(1,3-benzothiazol-2-ylmethyl)-5-bromo-2-hydroxybenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-5-bromo-2-hydroxybenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-5-bromo-2-hydroxybenzamide is O=C(NCc1nc2ccccc2s1)c1cc(Br)ccc1O.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-5-bromo-2-hydroxybenzamide?
The InChIKey is WBQUCBVLTUOGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2S/c16-9-5-6-12(19)10(7-9)15(20)17-8-14-18-11-3-1-2-4-13(11)21-14/h1-7,19H,8H2,(H,17,20).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-5-bromo-2-hydroxybenzamide?
N-(1,3-benzothiazol-2-ylmethyl)-5-bromo-2-hydroxybenzamide has a molecular weight of 363.24 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-5-bromo-2-hydroxybenzamide is sourced from PubChem (CID 43004261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).