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

C15H10BrFN2OS — CID 18110803

IUPACN-(1,3-benzothiazol-2-ylmethyl)-2-bromo-5-fluorobenzamide
SMILESO=C(NCc1nc2ccccc2s1)c1cc(F)ccc1Br
InChIInChI=1S/C15H10BrFN2OS/c16-11-6-5-9(17)7-10(11)15(20)18-8-14-19-12-3-1-2-4-13(12)21-14/h1-7H,8H2,(H,18,20)
InChIKeyLIGXAQYAKXSBIV-UHFFFAOYSA-N
MW365.23 g/mol
LogP4.13
Rot. Bonds3

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

N-(1,3-benzothiazol-2-ylmethyl)-2-bromo-5-fluorobenzamide (PubChem CID 18110803) has the molecular formula C15H10BrFN2OS and a molecular weight of 365.23 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-2-bromo-5-fluorobenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-2-bromo-5-fluorobenzamide
PubChem CID18110803
Molecular FormulaC15H10BrFN2OS
Molecular Weight365.23 g/mol
Exact Mass363.97
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-2-bromo-5-fluorobenzamide
SMILESO=C(NCc1nc2ccccc2s1)c1cc(F)ccc1Br
InChIInChI=1S/C15H10BrFN2OS/c16-11-6-5-9(17)7-10(11)15(20)18-8-14-19-12-3-1-2-4-13(12)21-14/h1-7H,8H2,(H,18,20)
InChIKeyLIGXAQYAKXSBIV-UHFFFAOYSA-N
XLogP4.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-5-bromo-2-hydroxybenzamide
CID 43004261
N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxy-4-methylbenzamide
CID 31100846
1,3-benzothiazol-2-ylmethyl 2-bromo-4-fluorobenzoate
CID 8837375
2-bromo-5-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 8927292
N-(1,3-benzothiazol-2-ylmethyl)-2-(3-fluorophenoxy)acetamide
CID 18110682
N-[3-(1,3-benzothiazol-2-yl)propyl]-5-bromo-2-fluorobenzamide
CID 46426520
2-bromo-5-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide
CID 52560940
N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxy-4-methoxybenzamide
CID 31100874
N-(1,3-benzothiazol-2-ylmethyl)-4-bromo-1-ethylpyrrole-2-carboxamide
CID 60954775
N-(1,3-benzothiazol-2-ylmethyl)-5-methylthiophene-2-carboxamide
CID 18110635
1-(1,3-benzothiazol-2-ylmethyl)-3-methylurea
CID 23548661
N-(1,3-benzothiazol-2-ylmethyl)-3-[(2-chloro-4,5-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 15948358

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2-bromo-5-fluorobenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2-bromo-5-fluorobenzamide (CID 18110803) is N-(1,3-benzothiazol-2-ylmethyl)-2-bromo-5-fluorobenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-2-bromo-5-fluorobenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-2-bromo-5-fluorobenzamide is O=C(NCc1nc2ccccc2s1)c1cc(F)ccc1Br.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-2-bromo-5-fluorobenzamide?
The InChIKey is LIGXAQYAKXSBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2OS/c16-11-6-5-9(17)7-10(11)15(20)18-8-14-19-12-3-1-2-4-13(12)21-14/h1-7H,8H2,(H,18,20).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-2-bromo-5-fluorobenzamide?
N-(1,3-benzothiazol-2-ylmethyl)-2-bromo-5-fluorobenzamide has a molecular weight of 365.23 g/mol, XLogP of 4.13, 3 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-ylmethyl)-2-bromo-5-fluorobenzamide is sourced from PubChem (CID 18110803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).