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

C11H9BrN2O2S — CID 103872542

IUPAC4-bromo-3-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide
SMILESO=C(NCc1nccs1)c1ccc(Br)c(O)c1
InChIInChI=1S/C11H9BrN2O2S/c12-8-2-1-7(5-9(8)15)11(16)14-6-10-13-3-4-17-10/h1-5,15H,6H2,(H,14,16)
InChIKeyGKYKMWFXLWAOPD-UHFFFAOYSA-N
MW313.18 g/mol
LogP2.54
Rot. Bonds3

About 4-bromo-3-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide

4-bromo-3-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide (PubChem CID 103872542) has the molecular formula C11H9BrN2O2S and a molecular weight of 313.18 g/mol. Its IUPAC name is 4-bromo-3-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide
PubChem CID103872542
Molecular FormulaC11H9BrN2O2S
Molecular Weight313.18 g/mol
Exact Mass311.96
IUPAC Name4-bromo-3-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide
SMILESO=C(NCc1nccs1)c1ccc(Br)c(O)c1
InChIInChI=1S/C11H9BrN2O2S/c12-8-2-1-7(5-9(8)15)11(16)14-6-10-13-3-4-17-10/h1-5,15H,6H2,(H,14,16)
InChIKeyGKYKMWFXLWAOPD-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

4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 60773800
5-bromo-2-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 103616957
4-bromo-3-hydroxy-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 103873486
4-(1,3-thiazol-2-ylmethylcarbamoyl)benzoic acid
CID 54962478
4-amino-N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 62160253
2,6-dihydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 113346793
N-(1,3-thiazol-2-ylmethyl)isoquinoline-6-carboxamide
CID 110485103
4-acetamido-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 110445281
6-fluoro-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide
CID 63978404
5-hydroxy-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide
CID 63858732
N-[(3-bromothiophen-2-yl)methyl]-3-hydroxy-4-iodobenzamide
CID 113434715
N-(1,3-thiazol-2-ylmethyl)-1H-indazole-6-carboxamide
CID 62905804

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide?
The IUPAC name of 4-bromo-3-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide (CID 103872542) is 4-bromo-3-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide.
What is the SMILES notation for 4-bromo-3-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide?
The canonical SMILES for 4-bromo-3-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide is O=C(NCc1nccs1)c1ccc(Br)c(O)c1.
What is the InChIKey of 4-bromo-3-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide?
The InChIKey is GKYKMWFXLWAOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2S/c12-8-2-1-7(5-9(8)15)11(16)14-6-10-13-3-4-17-10/h1-5,15H,6H2,(H,14,16).
What are the key properties of 4-bromo-3-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide?
4-bromo-3-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 4-bromo-3-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide is sourced from PubChem (CID 103872542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).