N-(4-bromo-1,3-benzothiazol-2-yl)benzamide

C14H9BrN2OS — CID 7202695

IUPACN-(4-bromo-1,3-benzothiazol-2-yl)benzamide
SMILESO=C(Nc1nc2c(Br)cccc2s1)c1ccccc1
InChIInChI=1S/C14H9BrN2OS/c15-10-7-4-8-11-12(10)16-14(19-11)17-13(18)9-5-2-1-3-6-9/h1-8H,(H,16,17,18)
InChIKeyQQQQOPNHKQXXLY-UHFFFAOYSA-N
MW333.21 g/mol
LogP4.31
Rot. Bonds2

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

N-(4-bromo-1,3-benzothiazol-2-yl)benzamide (PubChem CID 7202695) has the molecular formula C14H9BrN2OS and a molecular weight of 333.21 g/mol. Its IUPAC name is N-(4-bromo-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(4-bromo-1,3-benzothiazol-2-yl)benzamide
PubChem CID7202695
Molecular FormulaC14H9BrN2OS
Molecular Weight333.21 g/mol
Exact Mass331.96
IUPAC NameN-(4-bromo-1,3-benzothiazol-2-yl)benzamide
SMILESO=C(Nc1nc2c(Br)cccc2s1)c1ccccc1
InChIInChI=1S/C14H9BrN2OS/c15-10-7-4-8-11-12(10)16-14(19-11)17-13(18)9-5-2-1-3-6-9/h1-8H,(H,16,17,18)
InChIKeyQQQQOPNHKQXXLY-UHFFFAOYSA-N
XLogP4.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.21
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-1,3-benzothiazol-2-yl)-2-chlorobenzamide
CID 7202712
N-(4-bromo-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 7189855
N-(4-cyano-1,3-benzothiazol-2-yl)benzamide
CID 134128549
N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 16938385
4-[benzyl(methyl)sulfamoyl]-N-(4-bromo-1,3-benzothiazol-2-yl)benzamide
CID 41235456
N-(4-bromo-1,3-benzothiazol-2-yl)-4-pentoxybenzamide
CID 41235389
N-benzo[e][1,3]benzothiazol-2-ylbenzamide
CID 2120985
4-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide
CID 4570143
N-(4-bromo-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 7203050
N-(4-bromo-1,3-benzothiazol-2-yl)-2-[2-[(4-bromo-1,3-benzothiazol-2-yl)amino]-2-oxoethoxy]acetamide
CID 43989383
1-(4-bromo-1,3-benzothiazol-2-yl)-3-(2-chlorophenyl)urea
CID 121080985
N-(4-bromo-1,3-benzothiazol-2-yl)-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 41235488

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of N-(4-bromo-1,3-benzothiazol-2-yl)benzamide (CID 7202695) is N-(4-bromo-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for N-(4-bromo-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for N-(4-bromo-1,3-benzothiazol-2-yl)benzamide is O=C(Nc1nc2c(Br)cccc2s1)c1ccccc1.
What is the InChIKey of N-(4-bromo-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is QQQQOPNHKQXXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2OS/c15-10-7-4-8-11-12(10)16-14(19-11)17-13(18)9-5-2-1-3-6-9/h1-8H,(H,16,17,18).
What are the key properties of N-(4-bromo-1,3-benzothiazol-2-yl)benzamide?
N-(4-bromo-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 333.21 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 7202695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).