5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-2-hydroxybenzamide

C14H8Br2N2O2S — CID 118657880

IUPAC5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-2-hydroxybenzamide
SMILESO=C(Nc1nc2ccc(Br)cc2s1)c1cc(Br)ccc1O
InChIInChI=1S/C14H8Br2N2O2S/c15-7-2-4-11(19)9(5-7)13(20)18-14-17-10-3-1-8(16)6-12(10)21-14/h1-6,19H,(H,17,18,20)
InChIKeyVPYYWNHOULKKSP-UHFFFAOYSA-N
MW428.11 g/mol
LogP4.78
Rot. Bonds2

About 5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-2-hydroxybenzamide

5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-2-hydroxybenzamide (PubChem CID 118657880) has the molecular formula C14H8Br2N2O2S and a molecular weight of 428.11 g/mol. Its IUPAC name is 5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-2-hydroxybenzamide
PubChem CID118657880
Molecular FormulaC14H8Br2N2O2S
Molecular Weight428.11 g/mol
Exact Mass425.87
IUPAC Name5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-2-hydroxybenzamide
SMILESO=C(Nc1nc2ccc(Br)cc2s1)c1cc(Br)ccc1O
InChIInChI=1S/C14H8Br2N2O2S/c15-7-2-4-11(19)9(5-7)13(20)18-14-17-10-3-1-8(16)6-12(10)21-14/h1-6,19H,(H,17,18,20)
InChIKeyVPYYWNHOULKKSP-UHFFFAOYSA-N
XLogP4.78
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.11
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-2-(hydroxymethyl)benzamide
CID 130288197
2,5-dihydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 103687616
N-(6-amino-1,3-benzothiazol-2-yl)-2,5-dihydroxybenzamide
CID 107721354
5-bromo-N-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide
CID 10433031
2-hydroxy-5-iodo-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 103602080
5-bromo-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 1341416
[(6-bromo-1,3-benzothiazol-2-yl)carbamoylamino]phosphonic acid
CID 23907634
N-(6-bromo-1,3-benzothiazol-2-yl)-4-nitrosobenzamide
CID 143038255
N-(6-bromo-1,3-benzothiazol-2-yl)-2,1,3-benzothiadiazole-5-carboxamide
CID 121082888
N-(6-bromo-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 43952277
N-(6-bromo-1,3-benzothiazol-2-yl)-2,2-dimethylpropanamide
CID 4133136
N-(6-bromo-1,3-benzothiazol-2-yl)-2-chloroacetamide
CID 2384252

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-2-hydroxybenzamide (CID 118657880) is 5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-2-hydroxybenzamide is O=C(Nc1nc2ccc(Br)cc2s1)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-2-hydroxybenzamide?
The InChIKey is VPYYWNHOULKKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2N2O2S/c15-7-2-4-11(19)9(5-7)13(20)18-14-17-10-3-1-8(16)6-12(10)21-14/h1-6,19H,(H,17,18,20).
What are the key properties of 5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-2-hydroxybenzamide?
5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-2-hydroxybenzamide has a molecular weight of 428.11 g/mol, XLogP of 4.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-2-hydroxybenzamide is sourced from PubChem (CID 118657880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).