3-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]propanoic acid

C10H15N3O3S — CID 82058147

IUPAC3-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]propanoic acid
SMILESCCCCC(=O)Nc1nnc(CCC(=O)O)s1
InChIInChI=1S/C10H15N3O3S/c1-2-3-4-7(14)11-10-13-12-8(17-10)5-6-9(15)16/h2-6H2,1H3,(H,15,16)(H,11,13,14)
InChIKeyMJIBZIIIHZJGPP-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.68
Rot. Bonds7

About 3-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]propanoic acid

3-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]propanoic acid (PubChem CID 82058147) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 3-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]propanoic acid
PubChem CID82058147
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name3-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]propanoic acid
SMILESCCCCC(=O)Nc1nnc(CCC(=O)O)s1
InChIInChI=1S/C10H15N3O3S/c1-2-3-4-7(14)11-10-13-12-8(17-10)5-6-9(15)16/h2-6H2,1H3,(H,15,16)(H,11,13,14)
InChIKeyMJIBZIIIHZJGPP-UHFFFAOYSA-N
XLogP1.68
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 2197904
N-[5-[[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]methyl]-1,3,4-thiadiazol-2-yl]pentanamide
CID 3112369
N-[5-[2-[2-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]pentanamide
CID 3881316
N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide
CID 4629599
ethyl 2-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]acetate
CID 3112368
4-[(5-butyl-1,3,4-thiadiazol-2-yl)carbamoylamino]butanoic acid
CID 122074087
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 5179103
N-[5-[2-[2-[5-(butanoylamino)-1,3,4-thiadiazol-2-yl]ethoxy]ethyl]-1,3,4-thiadiazol-2-yl]butanamide
CID 3101008
3-[4-methyl-2-(pentanoylamino)-1,3-thiazol-5-yl]propanoic acid
CID 82058784
N-[5-[2-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 2039486
N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 17321419
3-[(5-pentyl-1,3,4-thiadiazol-2-yl)amino]propanoic acid
CID 82316841

Frequently Asked Questions

What is the IUPAC name of 3-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]propanoic acid?
The IUPAC name of 3-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]propanoic acid (CID 82058147) is 3-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]propanoic acid?
The canonical SMILES for 3-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]propanoic acid is CCCCC(=O)Nc1nnc(CCC(=O)O)s1.
What is the InChIKey of 3-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]propanoic acid?
The InChIKey is MJIBZIIIHZJGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-2-3-4-7(14)11-10-13-12-8(17-10)5-6-9(15)16/h2-6H2,1H3,(H,15,16)(H,11,13,14).
What are the key properties of 3-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]propanoic acid?
3-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]propanoic acid has a molecular weight of 257.31 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]propanoic acid is sourced from PubChem (CID 82058147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).