5-bromo-2-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide

C11H9BrN2O2S — CID 103616957

IUPAC5-bromo-2-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide
SMILESO=C(NCc1nccs1)c1cc(Br)ccc1O
InChIInChI=1S/C11H9BrN2O2S/c12-7-1-2-9(15)8(5-7)11(16)14-6-10-13-3-4-17-10/h1-5,15H,6H2,(H,14,16)
InChIKeyBJJAEESONNTFLL-UHFFFAOYSA-N
MW313.18 g/mol
LogP2.54
Rot. Bonds3

About 5-bromo-2-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide

5-bromo-2-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide (PubChem CID 103616957) has the molecular formula C11H9BrN2O2S and a molecular weight of 313.18 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide
PubChem CID103616957
Molecular FormulaC11H9BrN2O2S
Molecular Weight313.18 g/mol
Exact Mass311.96
IUPAC Name5-bromo-2-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide
SMILESO=C(NCc1nccs1)c1cc(Br)ccc1O
InChIInChI=1S/C11H9BrN2O2S/c12-7-1-2-9(15)8(5-7)11(16)14-6-10-13-3-4-17-10/h1-5,15H,6H2,(H,14,16)
InChIKeyBJJAEESONNTFLL-UHFFFAOYSA-N
XLogP2.54
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 79723692
4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 60773800
4-bromo-3-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 103872542
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-hydroxybenzamide
CID 107729654
2,6-dihydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 113346793
N-(1,3-benzothiazol-2-ylmethyl)-5-bromo-2-hydroxybenzamide
CID 43004261
4-hydroxy-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 113341365
5-bromo-2-hydroxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 36886831
2-[2-[(5-bromo-2-hydroxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 107729424
2-sulfanyl-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 107025613
5-bromo-2-hydroxy-N-[(4-methylphenyl)methyl]benzamide
CID 27163181
N-[(4-aminophenyl)methyl]-5-bromo-2-hydroxybenzamide
CID 107729215

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide (CID 103616957) is 5-bromo-2-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide is O=C(NCc1nccs1)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-2-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide?
The InChIKey is BJJAEESONNTFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2S/c12-7-1-2-9(15)8(5-7)11(16)14-6-10-13-3-4-17-10/h1-5,15H,6H2,(H,14,16).
What are the key properties of 5-bromo-2-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide?
5-bromo-2-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide has a molecular weight of 313.18 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide is sourced from PubChem (CID 103616957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).