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

C11H8BrClN2OS — CID 103763238

IUPAC2-bromo-4-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2ccc(Cl)cc2Br)n1
InChIInChI=1S/C11H8BrClN2OS/c1-6-5-17-11(14-6)15-10(16)8-3-2-7(13)4-9(8)12/h2-5H,1H3,(H,14,15,16)
InChIKeyYADFEOXOSAWXTG-UHFFFAOYSA-N
MW331.62 g/mol
LogP4.12
Rot. Bonds2

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

2-bromo-4-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 103763238) has the molecular formula C11H8BrClN2OS and a molecular weight of 331.62 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID103763238
Molecular FormulaC11H8BrClN2OS
Molecular Weight331.62 g/mol
Exact Mass329.92
IUPAC Name2-bromo-4-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2ccc(Cl)cc2Br)n1
InChIInChI=1S/C11H8BrClN2OS/c1-6-5-17-11(14-6)15-10(16)8-3-2-7(13)4-9(8)12/h2-5H,1H3,(H,14,15,16)
InChIKeyYADFEOXOSAWXTG-UHFFFAOYSA-N
XLogP4.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.62
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(2-bromo-4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 107986384
5-chloro-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2679160
5-bromo-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 24696228
4-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 164647541
2-bromo-4-chloro-N-(4-chloro-6-methylpyrimidin-2-yl)benzamide
CID 114052927
2-[(2-bromo-4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride
CID 107987091
2,4-diamino-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 61089683
2-bromo-N-(5-bromo-1,3-thiazol-2-yl)-4-chlorobenzamide
CID 107987897
4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 683754
2-chloro-5-methylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 973569
2-bromo-4-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide
CID 114024558
2-bromo-4-chloro-N-(4-methylphenyl)benzamide
CID 103763138

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-bromo-4-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 103763238) is 2-bromo-4-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide is Cc1csc(NC(=O)c2ccc(Cl)cc2Br)n1.
What is the InChIKey of 2-bromo-4-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is YADFEOXOSAWXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2OS/c1-6-5-17-11(14-6)15-10(16)8-3-2-7(13)4-9(8)12/h2-5H,1H3,(H,14,15,16).
What are the key properties of 2-bromo-4-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
2-bromo-4-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 331.62 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 103763238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).