N-(4-bromo-2-hydroxyphenyl)-3-methyl-1,2-thiazole-4-carboxamide

C11H9BrN2O2S — CID 75501038

IUPACN-(4-bromo-2-hydroxyphenyl)-3-methyl-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)Nc1ccc(Br)cc1O
InChIInChI=1S/C11H9BrN2O2S/c1-6-8(5-17-14-6)11(16)13-9-3-2-7(12)4-10(9)15/h2-5,15H,1H3,(H,13,16)
InChIKeyUDLORIHQKIFYOY-UHFFFAOYSA-N
MW313.18 g/mol
LogP3.17
Rot. Bonds2

About N-(4-bromo-2-hydroxyphenyl)-3-methyl-1,2-thiazole-4-carboxamide

N-(4-bromo-2-hydroxyphenyl)-3-methyl-1,2-thiazole-4-carboxamide (PubChem CID 75501038) has the molecular formula C11H9BrN2O2S and a molecular weight of 313.18 g/mol. Its IUPAC name is N-(4-bromo-2-hydroxyphenyl)-3-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-hydroxyphenyl)-3-methyl-1,2-thiazole-4-carboxamide
PubChem CID75501038
Molecular FormulaC11H9BrN2O2S
Molecular Weight313.18 g/mol
Exact Mass311.96
IUPAC NameN-(4-bromo-2-hydroxyphenyl)-3-methyl-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)Nc1ccc(Br)cc1O
InChIInChI=1S/C11H9BrN2O2S/c1-6-8(5-17-14-6)11(16)13-9-3-2-7(12)4-10(9)15/h2-5,15H,1H3,(H,13,16)
InChIKeyUDLORIHQKIFYOY-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2-hydroxyphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 86983600
4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
N-(4-bromo-2-hydroxyphenyl)-2-(methylamino)acetamide;hydrochloride
CID 131159794
4-bromo-N-(4-bromo-2-chlorophenyl)-2-hydroxybenzamide
CID 63524501
N-(5-bromo-2-methylphenyl)-2,3-dihydroxybenzamide
CID 114343683
4-bromo-2-hydroxy-N-(2-hydroxy-4-nitrophenyl)benzamide
CID 107745262
5-bromo-2-hydroxy-N-(2-methyl-3-pyridinyl)benzamide
CID 103715623
N-(4-bromo-2-ethylphenyl)-2,3-dihydroxybenzamide
CID 114343713
N-(5-bromo-2-methylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47308279
2,5-dibromo-N-(2-hydroxy-4-methylphenyl)thiophene-3-carboxamide
CID 103674569
4-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide
CID 65488541
2,5-dibromo-N-(6-bromo-2-methyl-3-pyridinyl)benzamide
CID 104920609

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-hydroxyphenyl)-3-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of N-(4-bromo-2-hydroxyphenyl)-3-methyl-1,2-thiazole-4-carboxamide (CID 75501038) is N-(4-bromo-2-hydroxyphenyl)-3-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-hydroxyphenyl)-3-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-hydroxyphenyl)-3-methyl-1,2-thiazole-4-carboxamide is Cc1nscc1C(=O)Nc1ccc(Br)cc1O.
What is the InChIKey of N-(4-bromo-2-hydroxyphenyl)-3-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is UDLORIHQKIFYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2S/c1-6-8(5-17-14-6)11(16)13-9-3-2-7(12)4-10(9)15/h2-5,15H,1H3,(H,13,16).
What are the key properties of N-(4-bromo-2-hydroxyphenyl)-3-methyl-1,2-thiazole-4-carboxamide?
N-(4-bromo-2-hydroxyphenyl)-3-methyl-1,2-thiazole-4-carboxamide 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 N-(4-bromo-2-hydroxyphenyl)-3-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 75501038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).