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

C10H8BrN3OS — CID 66463454

IUPAC6-bromo-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESCc1cnc(NC(=O)c2ccc(Br)nc2)s1
InChIInChI=1S/C10H8BrN3OS/c1-6-4-13-10(16-6)14-9(15)7-2-3-8(11)12-5-7/h2-5H,1H3,(H,13,14,15)
InChIKeyQENDOYXNCHBTOJ-UHFFFAOYSA-N
MW298.17 g/mol
LogP2.86
Rot. Bonds2

About 6-bromo-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide

6-bromo-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide (PubChem CID 66463454) has the molecular formula C10H8BrN3OS and a molecular weight of 298.17 g/mol. Its IUPAC name is 6-bromo-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
PubChem CID66463454
Molecular FormulaC10H8BrN3OS
Molecular Weight298.17 g/mol
Exact Mass296.96
IUPAC Name6-bromo-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESCc1cnc(NC(=O)c2ccc(Br)nc2)s1
InChIInChI=1S/C10H8BrN3OS/c1-6-4-13-10(16-6)14-9(15)7-2-3-8(11)12-5-7/h2-5H,1H3,(H,13,14,15)
InChIKeyQENDOYXNCHBTOJ-UHFFFAOYSA-N
XLogP2.86
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-(5-bromo-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 66462491
4-bromo-3-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 47421860
3,4-dimethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2109069
4-fluoro-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 63212388
4-(ethylamino)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 62165674
4-hydrazinyl-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 63211746
3-iodo-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2116508
3-amino-4-ethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 61090016
3-acetamido-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 47366046
4-bromo-2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 47435879
4-(ethylamino)-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 63210150
5-amino-2,4-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 102704840

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide (CID 66463454) is 6-bromo-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide is Cc1cnc(NC(=O)c2ccc(Br)nc2)s1.
What is the InChIKey of 6-bromo-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is QENDOYXNCHBTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3OS/c1-6-4-13-10(16-6)14-9(15)7-2-3-8(11)12-5-7/h2-5H,1H3,(H,13,14,15).
What are the key properties of 6-bromo-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
6-bromo-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 298.17 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 66463454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).