5-bromo-N,6-dimethyl-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide

C12H12BrN3O2S — CID 84599559

IUPAC5-bromo-N,6-dimethyl-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide
SMILESCc1[nH]cc(C(=O)N(C)Cc2nccs2)c(=O)c1Br
InChIInChI=1S/C12H12BrN3O2S/c1-7-10(13)11(17)8(5-15-7)12(18)16(2)6-9-14-3-4-19-9/h3-5H,6H2,1-2H3,(H,15,17)
InChIKeyLEVZNVUVNMJMIC-UHFFFAOYSA-N
MW342.22 g/mol
LogP2.17
Rot. Bonds3

About 5-bromo-N,6-dimethyl-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide

5-bromo-N,6-dimethyl-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide (PubChem CID 84599559) has the molecular formula C12H12BrN3O2S and a molecular weight of 342.22 g/mol. Its IUPAC name is 5-bromo-N,6-dimethyl-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N,6-dimethyl-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide
PubChem CID84599559
Molecular FormulaC12H12BrN3O2S
Molecular Weight342.22 g/mol
Exact Mass340.98
IUPAC Name5-bromo-N,6-dimethyl-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide
SMILESCc1[nH]cc(C(=O)N(C)Cc2nccs2)c(=O)c1Br
InChIInChI=1S/C12H12BrN3O2S/c1-7-10(13)11(17)8(5-15-7)12(18)16(2)6-9-14-3-4-19-9/h3-5H,6H2,1-2H3,(H,15,17)
InChIKeyLEVZNVUVNMJMIC-UHFFFAOYSA-N
XLogP2.17
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,6-dimethyl-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N,6-dimethyl-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide (CID 84599559) is 5-bromo-N,6-dimethyl-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N,6-dimethyl-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N,6-dimethyl-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide is Cc1[nH]cc(C(=O)N(C)Cc2nccs2)c(=O)c1Br.
What is the InChIKey of 5-bromo-N,6-dimethyl-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide?
The InChIKey is LEVZNVUVNMJMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2S/c1-7-10(13)11(17)8(5-15-7)12(18)16(2)6-9-14-3-4-19-9/h3-5H,6H2,1-2H3,(H,15,17).
What are the key properties of 5-bromo-N,6-dimethyl-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide?
5-bromo-N,6-dimethyl-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide has a molecular weight of 342.22 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,6-dimethyl-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 84599559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).