5-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pentanoic acid

C7H10N2O3S — CID 22759402

IUPAC5-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pentanoic acid
SMILESO=C(O)CCCCc1n[nH]c(=S)o1
InChIInChI=1S/C7H10N2O3S/c10-6(11)4-2-1-3-5-8-9-7(13)12-5/h1-4H2,(H,9,13)(H,10,11)
InChIKeyIXCINKGKBZYKDY-UHFFFAOYSA-N
MW202.23 g/mol
LogP1.53
Rot. Bonds5

About 5-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pentanoic acid

5-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pentanoic acid (PubChem CID 22759402) has the molecular formula C7H10N2O3S and a molecular weight of 202.23 g/mol. Its IUPAC name is 5-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pentanoic acid.

Molecular Properties

Compound Name5-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pentanoic acid
PubChem CID22759402
Molecular FormulaC7H10N2O3S
Molecular Weight202.23 g/mol
Exact Mass202.04
IUPAC Name5-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pentanoic acid
SMILESO=C(O)CCCCc1n[nH]c(=S)o1
InChIInChI=1S/C7H10N2O3S/c10-6(11)4-2-1-3-5-8-9-7(13)12-5/h1-4H2,(H,9,13)(H,10,11)
InChIKeyIXCINKGKBZYKDY-UHFFFAOYSA-N
XLogP1.53
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pentanoic acid?
The IUPAC name of 5-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pentanoic acid (CID 22759402) is 5-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pentanoic acid.
What is the SMILES notation for 5-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pentanoic acid?
The canonical SMILES for 5-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pentanoic acid is O=C(O)CCCCc1n[nH]c(=S)o1.
What is the InChIKey of 5-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pentanoic acid?
The InChIKey is IXCINKGKBZYKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S/c10-6(11)4-2-1-3-5-8-9-7(13)12-5/h1-4H2,(H,9,13)(H,10,11).
What are the key properties of 5-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pentanoic acid?
5-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pentanoic acid has a molecular weight of 202.23 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pentanoic acid is sourced from PubChem (CID 22759402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).