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

C11H9BrN2OS — CID 683754

IUPAC4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2ccc(Br)cc2)n1
InChIInChI=1S/C11H9BrN2OS/c1-7-6-16-11(13-7)14-10(15)8-2-4-9(12)5-3-8/h2-6H,1H3,(H,13,14,15)
InChIKeyYXUNUMNYOKSUJQ-UHFFFAOYSA-N
MW297.18 g/mol
LogP3.47
Rot. Bonds2

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

4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 683754) has the molecular formula C11H9BrN2OS and a molecular weight of 297.18 g/mol. Its IUPAC name is 4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID683754
Molecular FormulaC11H9BrN2OS
Molecular Weight297.18 g/mol
Exact Mass295.96
IUPAC Name4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2ccc(Br)cc2)n1
InChIInChI=1S/C11H9BrN2OS/c1-7-6-16-11(13-7)14-10(15)8-2-4-9(12)5-3-8/h2-6H,1H3,(H,13,14,15)
InChIKeyYXUNUMNYOKSUJQ-UHFFFAOYSA-N
XLogP3.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.18
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[4-[2-[(4-bromobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
CID 3408651
4-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 47106736
4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 885062
4-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 62173171
3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 1246749
4-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2566426
2-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 798801
4-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 110763463
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-bromobenzamide
CID 28861346
5-bromo-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 24696228
N-(4-methyl-1,3-thiazol-2-yl)-4-pyrimidin-5-ylbenzamide
CID 56857360
4-[(2-methylpropan-2-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 110761812

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 683754) is 4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide is Cc1csc(NC(=O)c2ccc(Br)cc2)n1.
What is the InChIKey of 4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is YXUNUMNYOKSUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2OS/c1-7-6-16-11(13-7)14-10(15)8-2-4-9(12)5-3-8/h2-6H,1H3,(H,13,14,15).
What are the key properties of 4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 297.18 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 683754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).