N-(5-bromo-1,3-thiazol-2-yl)-2-hydroxy-3-methylbenzamide

C11H9BrN2O2S — CID 11681176

IUPACN-(5-bromo-1,3-thiazol-2-yl)-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ncc(Br)s2)c1O
InChIInChI=1S/C11H9BrN2O2S/c1-6-3-2-4-7(9(6)15)10(16)14-11-13-5-8(12)17-11/h2-5,15H,1H3,(H,13,14,16)
InChIKeyZNEBVPDLAHSKDD-UHFFFAOYSA-N
MW313.18 g/mol
LogP3.17
Rot. Bonds2

About N-(5-bromo-1,3-thiazol-2-yl)-2-hydroxy-3-methylbenzamide

N-(5-bromo-1,3-thiazol-2-yl)-2-hydroxy-3-methylbenzamide (PubChem CID 11681176) has the molecular formula C11H9BrN2O2S and a molecular weight of 313.18 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-2-hydroxy-3-methylbenzamide
PubChem CID11681176
Molecular FormulaC11H9BrN2O2S
Molecular Weight313.18 g/mol
Exact Mass311.96
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ncc(Br)s2)c1O
InChIInChI=1S/C11H9BrN2O2S/c1-6-3-2-4-7(9(6)15)10(16)14-11-13-5-8(12)17-11/h2-5,15H,1H3,(H,13,14,16)
InChIKeyZNEBVPDLAHSKDD-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

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CID 394397
[2-[(5-Chlorothiazol-2-yl)carbamoyl]-6-methyl-phenyl] acetate
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N-(5-bromothiazol-2-yl)-2-hydroxy-benzamide
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N-(5-Chlorothiazol-2-yl)-2-hydroxybenzamide
CID 49771640
N-(5-chlorothiazol-2-yl)-2-hydroxy-5-methyl-benzamide
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CID 49771643
N-(5-bromothiazol-2-yl)-3-chloro-2-hydroxy-benzamide
CID 53309398
N-(5-bromothiazol-2-yl)-5-chloro-2-hydroxy-benzamide
CID 53309400
(3S)-3-(3-acetyl-4-hydroxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 49851465
N-(5-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide
CID 837309
2-hydroxy-4-methyl-N-(5-nitrothiazol-2-yl)benzamide
CID 11550881

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2-hydroxy-3-methylbenzamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2-hydroxy-3-methylbenzamide (CID 11681176) is N-(5-bromo-1,3-thiazol-2-yl)-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-2-hydroxy-3-methylbenzamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-2-hydroxy-3-methylbenzamide is Cc1cccc(C(=O)Nc2ncc(Br)s2)c1O.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-2-hydroxy-3-methylbenzamide?
The InChIKey is ZNEBVPDLAHSKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2S/c1-6-3-2-4-7(9(6)15)10(16)14-11-13-5-8(12)17-11/h2-5,15H,1H3,(H,13,14,16).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-2-hydroxy-3-methylbenzamide?
N-(5-bromo-1,3-thiazol-2-yl)-2-hydroxy-3-methylbenzamide 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-(5-bromo-1,3-thiazol-2-yl)-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 11681176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).