3-(5-bromo-2-oxo-1-pyridinyl)propanethioamide

C8H9BrN2OS — CID 82151145

IUPAC3-(5-bromo-2-oxo-1-pyridinyl)propanethioamide
SMILESNC(=S)CCn1cc(Br)ccc1=O
InChIInChI=1S/C8H9BrN2OS/c9-6-1-2-8(12)11(5-6)4-3-7(10)13/h1-2,5H,3-4H2,(H2,10,13)
InChIKeyMIQZLZYAQHZFJJ-UHFFFAOYSA-N
MW261.14 g/mol
LogP1.29
Rot. Bonds3

About 3-(5-bromo-2-oxo-1-pyridinyl)propanethioamide

3-(5-bromo-2-oxo-1-pyridinyl)propanethioamide (PubChem CID 82151145) has the molecular formula C8H9BrN2OS and a molecular weight of 261.14 g/mol. Its IUPAC name is 3-(5-bromo-2-oxo-1-pyridinyl)propanethioamide.

Molecular Properties

Compound Name3-(5-bromo-2-oxo-1-pyridinyl)propanethioamide
PubChem CID82151145
Molecular FormulaC8H9BrN2OS
Molecular Weight261.14 g/mol
Exact Mass259.96
IUPAC Name3-(5-bromo-2-oxo-1-pyridinyl)propanethioamide
SMILESNC(=S)CCn1cc(Br)ccc1=O
InChIInChI=1S/C8H9BrN2OS/c9-6-1-2-8(12)11(5-6)4-3-7(10)13/h1-2,5H,3-4H2,(H2,10,13)
InChIKeyMIQZLZYAQHZFJJ-UHFFFAOYSA-N
XLogP1.29
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.14
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-3-(5-bromo-2-oxo-1-pyridinyl)propanamide
CID 82031748
3-(6-oxopyrimidin-1-yl)propanethioamide
CID 63768335
5-bromo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one
CID 39147647
2-[2-(5-bromo-2-oxo-1-pyridinyl)ethyl]-1-propan-2-ylguanidine
CID 122096974
3-(5-bromo-2-oxo-1-pyridinyl)-2-methylpropanamide
CID 66309112
5-bromo-1-[3-(methylamino)propyl]pyridin-2-one
CID 61387594
N-(4-bromo-2-fluorophenyl)-3-(5-bromo-2-oxo-1-pyridinyl)propanamide
CID 78830186
1-[2-(4-aminophenoxy)ethyl]-5-bromopyridin-2-one
CID 43365768
5-bromo-1-(4-methoxybutyl)pyridin-2-one
CID 115735573
5-bromo-1-[3-oxo-3-(4-prop-2-ynylpiperazin-1-yl)propyl]pyridin-2-one
CID 86862044
N-(2-aminoethyl)-3-(5-bromo-2-oxo-1-pyridinyl)-N-(2-phenylethyl)propanamide
CID 120886620
2-[2-(5-bromo-2-oxo-1-pyridinyl)ethyl]-1-cyclopropyl-1-methylguanidine
CID 122096951

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-oxo-1-pyridinyl)propanethioamide?
The IUPAC name of 3-(5-bromo-2-oxo-1-pyridinyl)propanethioamide (CID 82151145) is 3-(5-bromo-2-oxo-1-pyridinyl)propanethioamide.
What is the SMILES notation for 3-(5-bromo-2-oxo-1-pyridinyl)propanethioamide?
The canonical SMILES for 3-(5-bromo-2-oxo-1-pyridinyl)propanethioamide is NC(=S)CCn1cc(Br)ccc1=O.
What is the InChIKey of 3-(5-bromo-2-oxo-1-pyridinyl)propanethioamide?
The InChIKey is MIQZLZYAQHZFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2OS/c9-6-1-2-8(12)11(5-6)4-3-7(10)13/h1-2,5H,3-4H2,(H2,10,13).
What are the key properties of 3-(5-bromo-2-oxo-1-pyridinyl)propanethioamide?
3-(5-bromo-2-oxo-1-pyridinyl)propanethioamide has a molecular weight of 261.14 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-oxo-1-pyridinyl)propanethioamide is sourced from PubChem (CID 82151145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).