2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide

C12H12N4O2S — CID 155925231

IUPAC2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide
SMILESCCCC(=O)C(=O)Nc1nnc(-c2ccncc2)s1
InChIInChI=1S/C12H12N4O2S/c1-2-3-9(17)10(18)14-12-16-15-11(19-12)8-4-6-13-7-5-8/h4-7H,2-3H2,1H3,(H,14,16,18)
InChIKeyLZDWHERFQMDEEV-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.91
Rot. Bonds5

About 2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide

2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide (PubChem CID 155925231) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide.

Molecular Properties

Compound Name2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide
PubChem CID155925231
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC Name2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide
SMILESCCCC(=O)C(=O)Nc1nnc(-c2ccncc2)s1
InChIInChI=1S/C12H12N4O2S/c1-2-3-9(17)10(18)14-12-16-15-11(19-12)8-4-6-13-7-5-8/h4-7H,2-3H2,1H3,(H,14,16,18)
InChIKeyLZDWHERFQMDEEV-UHFFFAOYSA-N
XLogP1.91
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide?
The IUPAC name of 2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide (CID 155925231) is 2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide.
What is the SMILES notation for 2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide?
The canonical SMILES for 2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide is CCCC(=O)C(=O)Nc1nnc(-c2ccncc2)s1.
What is the InChIKey of 2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide?
The InChIKey is LZDWHERFQMDEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c1-2-3-9(17)10(18)14-12-16-15-11(19-12)8-4-6-13-7-5-8/h4-7H,2-3H2,1H3,(H,14,16,18).
What are the key properties of 2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide?
2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide has a molecular weight of 276.32 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide is sourced from PubChem (CID 155925231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).