N-[5-(2-piperazin-1-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide

C11H19N5OS — CID 96667436

IUPACN-[5-(2-piperazin-1-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nnc(CCN2CCNCC2)s1
InChIInChI=1S/C11H19N5OS/c1-2-9(17)13-11-15-14-10(18-11)3-6-16-7-4-12-5-8-16/h12H,2-8H2,1H3,(H,13,15,17)
InChIKeyFYAAPMRMJSZOEZ-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.33
Rot. Bonds5

About N-[5-(2-piperazin-1-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide

N-[5-(2-piperazin-1-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 96667436) has the molecular formula C11H19N5OS and a molecular weight of 269.37 g/mol. Its IUPAC name is N-[5-(2-piperazin-1-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-(2-piperazin-1-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID96667436
Molecular FormulaC11H19N5OS
Molecular Weight269.37 g/mol
Exact Mass269.13
IUPAC NameN-[5-(2-piperazin-1-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nnc(CCN2CCNCC2)s1
InChIInChI=1S/C11H19N5OS/c1-2-9(17)13-11-15-14-10(18-11)3-6-16-7-4-12-5-8-16/h12H,2-8H2,1H3,(H,13,15,17)
InChIKeyFYAAPMRMJSZOEZ-UHFFFAOYSA-N
XLogP0.33
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[2-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide
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N-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]propanamide
CID 71392216
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 825378
N-(5-butyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
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4-fluoro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 71946415
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide
CID 30897878
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylacetamide
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N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide;molecular hydrogen
CID 162747394
N-[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
CID 12004721
4-(4-methylpiperazin-4-ium-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
CID 6956665
N-ethyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)propanediamide
CID 676814
4-(4-ethylpiperazin-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide
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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-piperazin-1-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of N-[5-(2-piperazin-1-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide (CID 96667436) is N-[5-(2-piperazin-1-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for N-[5-(2-piperazin-1-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for N-[5-(2-piperazin-1-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide is CCC(=O)Nc1nnc(CCN2CCNCC2)s1.
What is the InChIKey of N-[5-(2-piperazin-1-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is FYAAPMRMJSZOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5OS/c1-2-9(17)13-11-15-14-10(18-11)3-6-16-7-4-12-5-8-16/h12H,2-8H2,1H3,(H,13,15,17).
What are the key properties of N-[5-(2-piperazin-1-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide?
N-[5-(2-piperazin-1-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 269.37 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-piperazin-1-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 96667436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).