3-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid

C7H10N2O2S2 — CID 63098766

IUPAC3-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid
SMILESCCC(CC(=O)O)Sc1nncs1
InChIInChI=1S/C7H10N2O2S2/c1-2-5(3-6(10)11)13-7-9-8-4-12-7/h4-5H,2-3H2,1H3,(H,10,11)
InChIKeyUNZONLJBRUZLMA-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.88
Rot. Bonds5

About 3-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid

3-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid (PubChem CID 63098766) has the molecular formula C7H10N2O2S2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid.

Molecular Properties

Compound Name3-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid
PubChem CID63098766
Molecular FormulaC7H10N2O2S2
Molecular Weight218.30 g/mol
Exact Mass218.02
IUPAC Name3-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid
SMILESCCC(CC(=O)O)Sc1nncs1
InChIInChI=1S/C7H10N2O2S2/c1-2-5(3-6(10)11)13-7-9-8-4-12-7/h4-5H,2-3H2,1H3,(H,10,11)
InChIKeyUNZONLJBRUZLMA-UHFFFAOYSA-N
XLogP1.88
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid?
The IUPAC name of 3-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid (CID 63098766) is 3-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid.
What is the SMILES notation for 3-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid?
The canonical SMILES for 3-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid is CCC(CC(=O)O)Sc1nncs1.
What is the InChIKey of 3-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid?
The InChIKey is UNZONLJBRUZLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S2/c1-2-5(3-6(10)11)13-7-9-8-4-12-7/h4-5H,2-3H2,1H3,(H,10,11).
What are the key properties of 3-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid?
3-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid has a molecular weight of 218.30 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid is sourced from PubChem (CID 63098766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).