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

C11H9BrN2O3S — CID 18105275

IUPAC3-bromo-4-hydroxy-5-methoxy-N-(1,3-thiazol-2-yl)benzamide
SMILESCOc1cc(C(=O)Nc2nccs2)cc(Br)c1O
InChIInChI=1S/C11H9BrN2O3S/c1-17-8-5-6(4-7(12)9(8)15)10(16)14-11-13-2-3-18-11/h2-5,15H,1H3,(H,13,14,16)
InChIKeyYQNHHBANTCAHSU-UHFFFAOYSA-N
MW329.18 g/mol
LogP2.87
Rot. Bonds3

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

3-bromo-4-hydroxy-5-methoxy-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 18105275) has the molecular formula C11H9BrN2O3S and a molecular weight of 329.18 g/mol. Its IUPAC name is 3-bromo-4-hydroxy-5-methoxy-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-4-hydroxy-5-methoxy-N-(1,3-thiazol-2-yl)benzamide
PubChem CID18105275
Molecular FormulaC11H9BrN2O3S
Molecular Weight329.18 g/mol
Exact Mass327.95
IUPAC Name3-bromo-4-hydroxy-5-methoxy-N-(1,3-thiazol-2-yl)benzamide
SMILESCOc1cc(C(=O)Nc2nccs2)cc(Br)c1O
InChIInChI=1S/C11H9BrN2O3S/c1-17-8-5-6(4-7(12)9(8)15)10(16)14-11-13-2-3-18-11/h2-5,15H,1H3,(H,13,14,16)
InChIKeyYQNHHBANTCAHSU-UHFFFAOYSA-N
XLogP2.87
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-5-methoxy-4-propoxy-N-(1,3-thiazol-2-yl)benzamide
CID 4797157
3-bromo-4-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 15943256
2-hydroxy-4,5-dimethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 141049066
2-bromo-3,4,5-trimethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 1120126
3-methoxy-4-propoxy-N-(1,3-thiazol-2-yl)benzamide
CID 2083346
4-butoxy-3-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 2666591
3,5-dimethoxy-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 17361080
3,5-difluoro-4-(methylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 55160396
5-bromo-2,3,4-trimethyl-N-(1,3-thiazol-2-yl)benzamide
CID 882261
3-(3-aminoprop-1-ynyl)-4-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 61033326
3-hydroxy-N-(1,3-thiazol-2-yl)benzamide
CID 17362164
3-bromo-4-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 28544978

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-hydroxy-5-methoxy-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-bromo-4-hydroxy-5-methoxy-N-(1,3-thiazol-2-yl)benzamide (CID 18105275) is 3-bromo-4-hydroxy-5-methoxy-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-bromo-4-hydroxy-5-methoxy-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-bromo-4-hydroxy-5-methoxy-N-(1,3-thiazol-2-yl)benzamide is COc1cc(C(=O)Nc2nccs2)cc(Br)c1O.
What is the InChIKey of 3-bromo-4-hydroxy-5-methoxy-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is YQNHHBANTCAHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O3S/c1-17-8-5-6(4-7(12)9(8)15)10(16)14-11-13-2-3-18-11/h2-5,15H,1H3,(H,13,14,16).
What are the key properties of 3-bromo-4-hydroxy-5-methoxy-N-(1,3-thiazol-2-yl)benzamide?
3-bromo-4-hydroxy-5-methoxy-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 329.18 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-hydroxy-5-methoxy-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 18105275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).