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

C11H12N4OS — CID 47251778

IUPACN-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1nnc(-c2ccccn2)s1
InChIInChI=1S/C11H12N4OS/c1-2-5-9(16)13-11-15-14-10(17-11)8-6-3-4-7-12-8/h3-4,6-7H,2,5H2,1H3,(H,13,15,16)
InChIKeyRKMGIASNNUNWMX-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.34
Rot. Bonds4

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

N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 47251778) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID47251778
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC NameN-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1nnc(-c2ccccn2)s1
InChIInChI=1S/C11H12N4OS/c1-2-5-9(16)13-11-15-14-10(17-11)8-6-3-4-7-12-8/h3-4,6-7H,2,5H2,1H3,(H,13,15,16)
InChIKeyRKMGIASNNUNWMX-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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Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)butanamide (CID 47251778) is N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)butanamide is CCCC(=O)Nc1nnc(-c2ccccn2)s1.
What is the InChIKey of N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is RKMGIASNNUNWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-2-5-9(16)13-11-15-14-10(17-11)8-6-3-4-7-12-8/h3-4,6-7H,2,5H2,1H3,(H,13,15,16).
What are the key properties of N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)butanamide?
N-(5-pyridin-2-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-2-yl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 47251778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).