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

C13H16N4OS — CID 1451783

IUPACN-ethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCCC(=O)N(CC)c1nnc(-c2ccncc2)s1
InChIInChI=1S/C13H16N4OS/c1-3-5-11(18)17(4-2)13-16-15-12(19-13)10-6-8-14-9-7-10/h6-9H,3-5H2,1-2H3
InChIKeyVMIJGIBAYAVAIK-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.75
Rot. Bonds5

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

N-ethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 1451783) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is N-ethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-ethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID1451783
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC NameN-ethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCCC(=O)N(CC)c1nnc(-c2ccncc2)s1
InChIInChI=1S/C13H16N4OS/c1-3-5-11(18)17(4-2)13-16-15-12(19-13)10-6-8-14-9-7-10/h6-9H,3-5H2,1-2H3
InChIKeyVMIJGIBAYAVAIK-UHFFFAOYSA-N
XLogP2.75
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of N-ethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide (CID 1451783) is N-ethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for N-ethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for N-ethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide is CCCC(=O)N(CC)c1nnc(-c2ccncc2)s1.
What is the InChIKey of N-ethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is VMIJGIBAYAVAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-3-5-11(18)17(4-2)13-16-15-12(19-13)10-6-8-14-9-7-10/h6-9H,3-5H2,1-2H3.
What are the key properties of N-ethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide?
N-ethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 276.36 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 1451783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).