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

C11H10BrN3O2S — CID 71873278

IUPAC5-bromo-6-oxo-N-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCCc1cscn1)c1c[nH]c(=O)c(Br)c1
InChIInChI=1S/C11H10BrN3O2S/c12-9-3-7(4-14-11(9)17)10(16)13-2-1-8-5-18-6-15-8/h3-6H,1-2H2,(H,13,16)(H,14,17)
InChIKeyLVOYDRXFNPUXNL-UHFFFAOYSA-N
MW328.19 g/mol
LogP1.57
Rot. Bonds4

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

5-bromo-6-oxo-N-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide (PubChem CID 71873278) has the molecular formula C11H10BrN3O2S and a molecular weight of 328.19 g/mol. Its IUPAC name is 5-bromo-6-oxo-N-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-6-oxo-N-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide
PubChem CID71873278
Molecular FormulaC11H10BrN3O2S
Molecular Weight328.19 g/mol
Exact Mass326.97
IUPAC Name5-bromo-6-oxo-N-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCCc1cscn1)c1c[nH]c(=O)c(Br)c1
InChIInChI=1S/C11H10BrN3O2S/c12-9-3-7(4-14-11(9)17)10(16)13-2-1-8-5-18-6-15-8/h3-6H,1-2H2,(H,13,16)(H,14,17)
InChIKeyLVOYDRXFNPUXNL-UHFFFAOYSA-N
XLogP1.57
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[2-(4-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 53362040
3,4-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284874
3,5-dimethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284873
N-[2-(1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide
CID 78954440
4-hydroxy-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 103957000
6-oxo-N-[2-(1,3-thiazol-4-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 63826133
4-amino-3-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 63831827
4-bromo-1-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrrole-2-carboxamide
CID 63825722
1-(3-bromo-4-fluorophenyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 75432221
3-methylsulfonyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110313136
3-bromo-4-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 103841851
2-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 103854300

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-oxo-N-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 5-bromo-6-oxo-N-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide (CID 71873278) is 5-bromo-6-oxo-N-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-6-oxo-N-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-6-oxo-N-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide is O=C(NCCc1cscn1)c1c[nH]c(=O)c(Br)c1.
What is the InChIKey of 5-bromo-6-oxo-N-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide?
The InChIKey is LVOYDRXFNPUXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O2S/c12-9-3-7(4-14-11(9)17)10(16)13-2-1-8-5-18-6-15-8/h3-6H,1-2H2,(H,13,16)(H,14,17).
What are the key properties of 5-bromo-6-oxo-N-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide?
5-bromo-6-oxo-N-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide has a molecular weight of 328.19 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-oxo-N-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 71873278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).