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

C10H5BrN4OS — CID 90603525

IUPAC5-bromo-N-(5-cyano-1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESN#Cc1cnc(NC(=O)c2cncc(Br)c2)s1
InChIInChI=1S/C10H5BrN4OS/c11-7-1-6(3-13-4-7)9(16)15-10-14-5-8(2-12)17-10/h1,3-5H,(H,14,15,16)
InChIKeyICCFEUPSKMTUGN-UHFFFAOYSA-N
MW309.15 g/mol
LogP2.42
Rot. Bonds2

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

5-bromo-N-(5-cyano-1,3-thiazol-2-yl)pyridine-3-carboxamide (PubChem CID 90603525) has the molecular formula C10H5BrN4OS and a molecular weight of 309.15 g/mol. Its IUPAC name is 5-bromo-N-(5-cyano-1,3-thiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(5-cyano-1,3-thiazol-2-yl)pyridine-3-carboxamide
PubChem CID90603525
Molecular FormulaC10H5BrN4OS
Molecular Weight309.15 g/mol
Exact Mass307.94
IUPAC Name5-bromo-N-(5-cyano-1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESN#Cc1cnc(NC(=O)c2cncc(Br)c2)s1
InChIInChI=1S/C10H5BrN4OS/c11-7-1-6(3-13-4-7)9(16)15-10-14-5-8(2-12)17-10/h1,3-5H,(H,14,15,16)
InChIKeyICCFEUPSKMTUGN-UHFFFAOYSA-N
XLogP2.42
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.15
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-cyano-1,3-thiazol-2-yl)-3-methylbenzamide
CID 90603545
2-bromo-N-(5-cyano-1,3-thiazol-2-yl)benzamide
CID 90603571
N-(5-cyano-1,3-thiazol-2-yl)-4-ethoxybenzamide
CID 90603554
5-bromo-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyridine-3-carboxamide
CID 4798185
N-(5-cyano-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 90603668
5-bromo-N-pyrimidin-2-ylpyridine-3-carboxamide
CID 29367937
5-bromo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 43068584
2-chloro-N-(5-cyano-1,3-thiazol-2-yl)acetamide
CID 166432032
5-hydroxy-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 63852076
5-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 60795117
5-bromo-N-(7-cyano-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyridine-3-carboxamide
CID 110455251
1-tert-butyl-3-(5-cyano-1,3-thiazol-2-yl)urea
CID 90603690

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-cyano-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(5-cyano-1,3-thiazol-2-yl)pyridine-3-carboxamide (CID 90603525) is 5-bromo-N-(5-cyano-1,3-thiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(5-cyano-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(5-cyano-1,3-thiazol-2-yl)pyridine-3-carboxamide is N#Cc1cnc(NC(=O)c2cncc(Br)c2)s1.
What is the InChIKey of 5-bromo-N-(5-cyano-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is ICCFEUPSKMTUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrN4OS/c11-7-1-6(3-13-4-7)9(16)15-10-14-5-8(2-12)17-10/h1,3-5H,(H,14,15,16).
What are the key properties of 5-bromo-N-(5-cyano-1,3-thiazol-2-yl)pyridine-3-carboxamide?
5-bromo-N-(5-cyano-1,3-thiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 309.15 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-cyano-1,3-thiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 90603525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).