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

C15H10Br2N2O2S — CID 130288197

IUPAC5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-2-(hydroxymethyl)benzamide
SMILESO=C(Nc1nc2ccc(Br)cc2s1)c1cc(Br)ccc1CO
InChIInChI=1S/C15H10Br2N2O2S/c16-9-2-1-8(7-20)11(5-9)14(21)19-15-18-12-4-3-10(17)6-13(12)22-15/h1-6,20H,7H2,(H,18,19,21)
InChIKeyVPOBWSQRCGBQDH-UHFFFAOYSA-N
MW442.13 g/mol
LogP4.57
Rot. Bonds3

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

5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-2-(hydroxymethyl)benzamide (PubChem CID 130288197) has the molecular formula C15H10Br2N2O2S and a molecular weight of 442.13 g/mol. Its IUPAC name is 5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-2-(hydroxymethyl)benzamide.

Molecular Properties

Compound Name5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-2-(hydroxymethyl)benzamide
PubChem CID130288197
Molecular FormulaC15H10Br2N2O2S
Molecular Weight442.13 g/mol
Exact Mass439.88
IUPAC Name5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-2-(hydroxymethyl)benzamide
SMILESO=C(Nc1nc2ccc(Br)cc2s1)c1cc(Br)ccc1CO
InChIInChI=1S/C15H10Br2N2O2S/c16-9-2-1-8(7-20)11(5-9)14(21)19-15-18-12-4-3-10(17)6-13(12)22-15/h1-6,20H,7H2,(H,18,19,21)
InChIKeyVPOBWSQRCGBQDH-UHFFFAOYSA-N
XLogP4.57
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.13
LogP ≤ 54.57
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-hydroxybenzamide
CID 118657880
N-(6-bromo-1,3-benzothiazol-2-yl)-2-chloroacetamide
CID 2384252
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)-2,1,3-benzothiadiazole-5-carboxamide
CID 121082888
N-(6-bromo-1,3-benzothiazol-2-yl)-4-nitrosobenzamide
CID 143038255
N-(6-bromo-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 43952277
5-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-2-ethoxybenzamide
CID 54783487
N-(6-bromo-1,3-benzothiazol-2-yl)-2,2-dimethylpropanamide
CID 4133136
N-(6-bromo-1,3-benzothiazol-2-yl)-1-ethylpyrazole-3-carboxamide
CID 17168187
N-(6-bromo-1,3-benzothiazol-2-yl)-2-methyl-3-nitrobenzamide
CID 3554720
2-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)butanamide
CID 17244664

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-2-(hydroxymethyl)benzamide?
The IUPAC name of 5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-2-(hydroxymethyl)benzamide (CID 130288197) is 5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-2-(hydroxymethyl)benzamide.
What is the SMILES notation for 5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-2-(hydroxymethyl)benzamide?
The canonical SMILES for 5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-2-(hydroxymethyl)benzamide is O=C(Nc1nc2ccc(Br)cc2s1)c1cc(Br)ccc1CO.
What is the InChIKey of 5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-2-(hydroxymethyl)benzamide?
The InChIKey is VPOBWSQRCGBQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2N2O2S/c16-9-2-1-8(7-20)11(5-9)14(21)19-15-18-12-4-3-10(17)6-13(12)22-15/h1-6,20H,7H2,(H,18,19,21).
What are the key properties of 5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-2-(hydroxymethyl)benzamide?
5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-2-(hydroxymethyl)benzamide has a molecular weight of 442.13 g/mol, XLogP of 4.57, 3 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-(hydroxymethyl)benzamide is sourced from PubChem (CID 130288197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).