N-[5-[2-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide

C12H16N6O2S2 — CID 2039486

IUPACN-[5-[2-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nnc(CCc2nnc(NC(=O)CC)s2)s1
InChIInChI=1S/C12H16N6O2S2/c1-3-7(19)13-11-17-15-9(21-11)5-6-10-16-18-12(22-10)14-8(20)4-2/h3-6H2,1-2H3,(H,13,17,19)(H,14,18,20)
InChIKeyHLTYUJUBFHSZMP-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.87
Rot. Bonds7

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

N-[5-[2-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 2039486) has the molecular formula C12H16N6O2S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[5-[2-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-[2-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID2039486
Molecular FormulaC12H16N6O2S2
Molecular Weight340.43 g/mol
Exact Mass340.08
IUPAC NameN-[5-[2-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nnc(CCc2nnc(NC(=O)CC)s2)s1
InChIInChI=1S/C12H16N6O2S2/c1-3-7(19)13-11-17-15-9(21-11)5-6-10-16-18-12(22-10)14-8(20)4-2/h3-6H2,1-2H3,(H,13,17,19)(H,14,18,20)
InChIKeyHLTYUJUBFHSZMP-UHFFFAOYSA-N
XLogP1.87
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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-[2-oxo-2-(2-propanoylhydrazinyl)ethyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 3584343
N-[5-[2-(5-acetamido-1,3,4-thiadiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 2008219
N-[5-(2-piperazin-1-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 96667436
N-ethyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)propanediamide
CID 676814
N-(5-benzyl-1,3,4-thiadiazol-2-yl)propanamide
CID 794578
N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 2197904
N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide
CID 4629599
N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide;molecular hydrogen
CID 162747394
N-[5-[2-[2-[5-(butanoylamino)-1,3,4-thiadiazol-2-yl]ethoxy]ethyl]-1,3,4-thiadiazol-2-yl]butanamide
CID 3101008
3-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]propanoic acid
CID 82058147

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of N-[5-[2-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide (CID 2039486) is N-[5-[2-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for N-[5-[2-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for N-[5-[2-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide is CCC(=O)Nc1nnc(CCc2nnc(NC(=O)CC)s2)s1.
What is the InChIKey of N-[5-[2-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is HLTYUJUBFHSZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2S2/c1-3-7(19)13-11-17-15-9(21-11)5-6-10-16-18-12(22-10)14-8(20)4-2/h3-6H2,1-2H3,(H,13,17,19)(H,14,18,20).
What are the key properties of N-[5-[2-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide?
N-[5-[2-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 340.43 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 2039486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).