N-[5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]butanamide

C12H18N4O2S — CID 976095

IUPACN-[5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nnc(CC(=O)N2CCCC2)s1
InChIInChI=1S/C12H18N4O2S/c1-2-5-9(17)13-12-15-14-10(19-12)8-11(18)16-6-3-4-7-16/h2-8H2,1H3,(H,13,15,17)
InChIKeyUVNZZJQXQVACHC-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.44
Rot. Bonds5

About N-[5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]butanamide

N-[5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]butanamide (PubChem CID 976095) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-[5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]butanamide.

Molecular Properties

Compound NameN-[5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]butanamide
PubChem CID976095
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC NameN-[5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nnc(CC(=O)N2CCCC2)s1
InChIInChI=1S/C12H18N4O2S/c1-2-5-9(17)13-12-15-14-10(19-12)8-11(18)16-6-3-4-7-16/h2-8H2,1H3,(H,13,15,17)
InChIKeyUVNZZJQXQVACHC-UHFFFAOYSA-N
XLogP1.44
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]butanamide?
The IUPAC name of N-[5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]butanamide (CID 976095) is N-[5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]butanamide.
What is the SMILES notation for N-[5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]butanamide?
The canonical SMILES for N-[5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]butanamide is CCCC(=O)Nc1nnc(CC(=O)N2CCCC2)s1.
What is the InChIKey of N-[5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]butanamide?
The InChIKey is UVNZZJQXQVACHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-2-5-9(17)13-12-15-14-10(19-12)8-11(18)16-6-3-4-7-16/h2-8H2,1H3,(H,13,15,17).
What are the key properties of N-[5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]butanamide?
N-[5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]butanamide has a molecular weight of 282.37 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]butanamide is sourced from PubChem (CID 976095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).