2-bromo-N-(5-cyano-1,3-thiazol-2-yl)benzamide

C11H6BrN3OS — CID 90603571

IUPAC2-bromo-N-(5-cyano-1,3-thiazol-2-yl)benzamide
SMILESN#Cc1cnc(NC(=O)c2ccccc2Br)s1
InChIInChI=1S/C11H6BrN3OS/c12-9-4-2-1-3-8(9)10(16)15-11-14-6-7(5-13)17-11/h1-4,6H,(H,14,15,16)
InChIKeyZKHMMEIZRAPONT-UHFFFAOYSA-N
MW308.16 g/mol
LogP3.03
Rot. Bonds2

About 2-bromo-N-(5-cyano-1,3-thiazol-2-yl)benzamide

2-bromo-N-(5-cyano-1,3-thiazol-2-yl)benzamide (PubChem CID 90603571) has the molecular formula C11H6BrN3OS and a molecular weight of 308.16 g/mol. Its IUPAC name is 2-bromo-N-(5-cyano-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(5-cyano-1,3-thiazol-2-yl)benzamide
PubChem CID90603571
Molecular FormulaC11H6BrN3OS
Molecular Weight308.16 g/mol
Exact Mass306.94
IUPAC Name2-bromo-N-(5-cyano-1,3-thiazol-2-yl)benzamide
SMILESN#Cc1cnc(NC(=O)c2ccccc2Br)s1
InChIInChI=1S/C11H6BrN3OS/c12-9-4-2-1-3-8(9)10(16)15-11-14-6-7(5-13)17-11/h1-4,6H,(H,14,15,16)
InChIKeyZKHMMEIZRAPONT-UHFFFAOYSA-N
XLogP3.03
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.16
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-cyano-1,3-thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 90603522
N-(5-cyano-1,3-thiazol-2-yl)-3-methylbenzamide
CID 90603545
5-bromo-N-(5-cyano-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 90603525
2-chloro-N-(5-cyano-1,3-thiazol-2-yl)acetamide
CID 166432032
N-(5-bromo-1,3-thiazol-2-yl)-2-fluorobenzamide
CID 60654750
N-(5-cyano-1,3-thiazol-2-yl)-4-ethoxybenzamide
CID 90603554
2-cyano-N-(5-ethyl-1,3-thiazol-2-yl)benzamide
CID 54382001
4-(butylamino)-N-(5-cyano-1,3-thiazol-2-yl)-2-phenylbenzamide
CID 166872979
2-amino-N-(5-amino-1,3-thiazol-2-yl)benzamide
CID 166871884
N-(5-cyano-1,3-thiazol-2-yl)-2-phenylbutanamide
CID 90603621
2-bromo-N-[5-(4-cyanoanilino)-2-pyridinyl]benzamide
CID 113037262
N-(5-cyano-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 90603668

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-cyano-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-bromo-N-(5-cyano-1,3-thiazol-2-yl)benzamide (CID 90603571) is 2-bromo-N-(5-cyano-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-bromo-N-(5-cyano-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-bromo-N-(5-cyano-1,3-thiazol-2-yl)benzamide is N#Cc1cnc(NC(=O)c2ccccc2Br)s1.
What is the InChIKey of 2-bromo-N-(5-cyano-1,3-thiazol-2-yl)benzamide?
The InChIKey is ZKHMMEIZRAPONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrN3OS/c12-9-4-2-1-3-8(9)10(16)15-11-14-6-7(5-13)17-11/h1-4,6H,(H,14,15,16).
What are the key properties of 2-bromo-N-(5-cyano-1,3-thiazol-2-yl)benzamide?
2-bromo-N-(5-cyano-1,3-thiazol-2-yl)benzamide has a molecular weight of 308.16 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-cyano-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 90603571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).