5-bromo-2-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide

C11H9BrN2O2S — CID 4263237

IUPAC5-bromo-2-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2cc(Br)ccc2O)n1
InChIInChI=1S/C11H9BrN2O2S/c1-6-5-17-11(13-6)14-10(16)8-4-7(12)2-3-9(8)15/h2-5,15H,1H3,(H,13,14,16)
InChIKeyNUTVAIPJEZNPPD-UHFFFAOYSA-N
MW313.18 g/mol
LogP3.17
Rot. Bonds2

About 5-bromo-2-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide

5-bromo-2-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 4263237) has the molecular formula C11H9BrN2O2S and a molecular weight of 313.18 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID4263237
Molecular FormulaC11H9BrN2O2S
Molecular Weight313.18 g/mol
Exact Mass311.96
IUPAC Name5-bromo-2-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2cc(Br)ccc2O)n1
InChIInChI=1S/C11H9BrN2O2S/c1-6-5-17-11(13-6)14-10(16)8-4-7(12)2-3-9(8)15/h2-5,15H,1H3,(H,13,14,16)
InChIKeyNUTVAIPJEZNPPD-UHFFFAOYSA-N
XLogP3.17
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 747501
N-(4,5-Dimethyl-thiazol-2-yl)-2-hydroxy-benzamide
CID 807671
N-(4-tert-Butyl-thiazol-2-yl)-2-hydroxy-benzamide
CID 807675
2-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 659766
2-hydroxy-N-(4-methylsulfonylthiazol-2-yl)benzamide
CID 50908296
2-hydroxy-3-methyl-N-(4-phenylthiazol-2-yl)benzamide
CID 53309542
2-Hydroxy-N-[4-(methylsulfinyl)-1,3-thiazol-2-yl]benzamide
CID 56958614
5-chloro-2-hydroxy-N-(4-methylthiazol-2-yl)benzamide
CID 6481048
N-(1,3-benzothiazol-2-yl)-5-bromo-2-hydroxybenzamide
CID 24285242
3,5-dibromo-2-hydroxy-N-(1,3-thiazol-2-yl)benzamide
CID 44457560
2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 695180
5-bromo-2-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide
CID 1048291

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 4263237) is 5-bromo-2-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide is Cc1csc(NC(=O)c2cc(Br)ccc2O)n1.
What is the InChIKey of 5-bromo-2-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is NUTVAIPJEZNPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2S/c1-6-5-17-11(13-6)14-10(16)8-4-7(12)2-3-9(8)15/h2-5,15H,1H3,(H,13,14,16).
What are the key properties of 5-bromo-2-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
5-bromo-2-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 313.18 g/mol, XLogP of 3.17, 2 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-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 4263237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).