6-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide

C11H10BrN3OS — CID 103875321

IUPAC6-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide
SMILESCc1ncsc1CNC(=O)c1cccc(Br)n1
InChIInChI=1S/C11H10BrN3OS/c1-7-9(17-6-14-7)5-13-11(16)8-3-2-4-10(12)15-8/h2-4,6H,5H2,1H3,(H,13,16)
InChIKeyJFLJIPIBZFZMKF-UHFFFAOYSA-N
MW312.19 g/mol
LogP2.54
Rot. Bonds3

About 6-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide

6-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide (PubChem CID 103875321) has the molecular formula C11H10BrN3OS and a molecular weight of 312.19 g/mol. Its IUPAC name is 6-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide
PubChem CID103875321
Molecular FormulaC11H10BrN3OS
Molecular Weight312.19 g/mol
Exact Mass310.97
IUPAC Name6-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide
SMILESCc1ncsc1CNC(=O)c1cccc(Br)n1
InChIInChI=1S/C11H10BrN3OS/c1-7-9(17-6-14-7)5-13-11(16)8-3-2-4-10(12)15-8/h2-4,6H,5H2,1H3,(H,13,16)
InChIKeyJFLJIPIBZFZMKF-UHFFFAOYSA-N
XLogP2.54
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 52.54
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

1-(6-bromo-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 112582362
6-bromo-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 103874120
2-bromo-4-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 55171879
2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide
CID 106853946
4-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]quinoline-2-carboxamide
CID 63375237
5-hydrazinyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide
CID 104642763
2-bromo-4-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 113257504
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-4-carboxamide
CID 63283681
4-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63283968
2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63681267
4-bromo-2-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63283747
6-bromo-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
CID 106832234

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide (CID 103875321) is 6-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide is Cc1ncsc1CNC(=O)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide?
The InChIKey is JFLJIPIBZFZMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3OS/c1-7-9(17-6-14-7)5-13-11(16)8-3-2-4-10(12)15-8/h2-4,6H,5H2,1H3,(H,13,16).
What are the key properties of 6-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide?
6-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide has a molecular weight of 312.19 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 103875321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).