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

C11H9BrN2O2S — CID 47435879

IUPAC4-bromo-2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1cnc(NC(=O)c2ccc(Br)cc2O)s1
InChIInChI=1S/C11H9BrN2O2S/c1-6-5-13-11(17-6)14-10(16)8-3-2-7(12)4-9(8)15/h2-5,15H,1H3,(H,13,14,16)
InChIKeyKKAPIRXSAOJZJX-UHFFFAOYSA-N
MW313.18 g/mol
LogP3.17
Rot. Bonds2

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

4-bromo-2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 47435879) has the molecular formula C11H9BrN2O2S and a molecular weight of 313.18 g/mol. Its IUPAC name is 4-bromo-2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID47435879
Molecular FormulaC11H9BrN2O2S
Molecular Weight313.18 g/mol
Exact Mass311.96
IUPAC Name4-bromo-2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1cnc(NC(=O)c2ccc(Br)cc2O)s1
InChIInChI=1S/C11H9BrN2O2S/c1-6-5-13-11(17-6)14-10(16)8-3-2-7(12)4-9(8)15/h2-5,15H,1H3,(H,13,14,16)
InChIKeyKKAPIRXSAOJZJX-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

4-fluoro-2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 103829649
2-fluoro-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 79770175
N-(5-bromo-1,3-thiazol-2-yl)-4-fluoro-2-hydroxybenzamide
CID 53309399
2-hydroxy-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide;2-hydroxy-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide;2-hydroxy-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide;tris(2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide)
CID 167706906
5-amino-2,4-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 102704840
4-bromo-2-hydroxy-N-(4-methyl-2-pyridinyl)benzamide
CID 47435797
6-bromo-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 66463454
2-chloro-N-(5-methyl-1,3-thiazol-2-yl)-5-sulfanylbenzamide
CID 107021003
4-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide
CID 65488541
4-bromo-3-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 47421860
2-(methanesulfonamido)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 51097784
2-(2,4-dibromophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 17477090

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-bromo-2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide (CID 47435879) is 4-bromo-2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-bromo-2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-bromo-2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide is Cc1cnc(NC(=O)c2ccc(Br)cc2O)s1.
What is the InChIKey of 4-bromo-2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is KKAPIRXSAOJZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2S/c1-6-5-13-11(17-6)14-10(16)8-3-2-7(12)4-9(8)15/h2-5,15H,1H3,(H,13,14,16).
What are the key properties of 4-bromo-2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
4-bromo-2-hydroxy-N-(5-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 4-bromo-2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 47435879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).