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

C11H12N4OS — CID 800225

IUPACN-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1nnc(-c2ccncc2)s1
InChIInChI=1S/C11H12N4OS/c1-2-3-9(16)13-11-15-14-10(17-11)8-4-6-12-7-5-8/h4-7H,2-3H2,1H3,(H,13,15,16)
InChIKeyORSSKZYXWAITQM-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.34
Rot. Bonds4

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

N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 800225) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID800225
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC NameN-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1nnc(-c2ccncc2)s1
InChIInChI=1S/C11H12N4OS/c1-2-3-9(16)13-11-15-14-10(17-11)8-4-6-12-7-5-8/h4-7H,2-3H2,1H3,(H,13,15,16)
InChIKeyORSSKZYXWAITQM-UHFFFAOYSA-N
XLogP2.34
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-5-(4-pyridyl)-1,3,4-thiadiazole
CID 121269
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
1-(4-Methylphenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea
CID 881003
N-phenyl-5-pyridin-3-yl-1,3,4-thiadiazol-2-amine
CID 946930
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
6-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 2085604
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide
CID 2558670
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 746692
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

Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide (CID 800225) is N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide is CCCC(=O)Nc1nnc(-c2ccncc2)s1.
What is the InChIKey of N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is ORSSKZYXWAITQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-2-3-9(16)13-11-15-14-10(17-11)8-4-6-12-7-5-8/h4-7H,2-3H2,1H3,(H,13,15,16).
What are the key properties of N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide?
N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 248.31 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 800225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).