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

C13H14N4O2S — CID 155923879

IUPAC2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)hexanamide
SMILESCCCCC(=O)C(=O)Nc1nnc(-c2ccncc2)s1
InChIInChI=1S/C13H14N4O2S/c1-2-3-4-10(18)11(19)15-13-17-16-12(20-13)9-5-7-14-8-6-9/h5-8H,2-4H2,1H3,(H,15,17,19)
InChIKeyPIUJGTBIDHVTFL-UHFFFAOYSA-N
MW290.35 g/mol
LogP2.30
Rot. Bonds6

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

2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)hexanamide (PubChem CID 155923879) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)hexanamide.

Molecular Properties

Compound Name2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)hexanamide
PubChem CID155923879
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)hexanamide
SMILESCCCCC(=O)C(=O)Nc1nnc(-c2ccncc2)s1
InChIInChI=1S/C13H14N4O2S/c1-2-3-4-10(18)11(19)15-13-17-16-12(20-13)9-5-7-14-8-6-9/h5-8H,2-4H2,1H3,(H,15,17,19)
InChIKeyPIUJGTBIDHVTFL-UHFFFAOYSA-N
XLogP2.30
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine
CID 649971
1-phenyl-3-[(2E)-5-(pyridin-4-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea
CID 800218
Acetamide, N-(5-(4-pyridyl)-1,3,4-thiadiazol-2-yl)-
CID 19289
N-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide
CID 1447074
N-(5-ethyl-1,3,4-thiadiazol-2-yl)nicotinamide
CID 1387083
Allyl-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-amine
CID 1933398
N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide
CID 659441
2-phenyl-N-[5-[4-[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 74982574
N'-hydroxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)octanediamide
CID 118716313
N'-hydroxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)octanediamide
CID 118716314
3-Methyl-but-2-enoic acid (5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-amide
CID 653655
N-(5-benzyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 860498

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)hexanamide?
The IUPAC name of 2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)hexanamide (CID 155923879) is 2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)hexanamide.
What is the SMILES notation for 2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)hexanamide?
The canonical SMILES for 2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)hexanamide is CCCCC(=O)C(=O)Nc1nnc(-c2ccncc2)s1.
What is the InChIKey of 2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)hexanamide?
The InChIKey is PIUJGTBIDHVTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-2-3-4-10(18)11(19)15-13-17-16-12(20-13)9-5-7-14-8-6-9/h5-8H,2-4H2,1H3,(H,15,17,19).
What are the key properties of 2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)hexanamide?
2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)hexanamide has a molecular weight of 290.35 g/mol, XLogP of 2.30, 6 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)hexanamide is sourced from PubChem (CID 155923879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).