2-(3-ethyl-1,2,4-thiadiazol-5-yl)acetic acid

C6H8N2O2S — CID 82411882

IUPAC2-(3-ethyl-1,2,4-thiadiazol-5-yl)acetic acid
SMILESCCc1nsc(CC(=O)O)n1
InChIInChI=1S/C6H8N2O2S/c1-2-4-7-5(11-8-4)3-6(9)10/h2-3H2,1H3,(H,9,10)
InChIKeyXXSNMGZGRFRAPV-UHFFFAOYSA-N
MW172.21 g/mol
LogP0.73
Rot. Bonds3

About 2-(3-ethyl-1,2,4-thiadiazol-5-yl)acetic acid

2-(3-ethyl-1,2,4-thiadiazol-5-yl)acetic acid (PubChem CID 82411882) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is 2-(3-ethyl-1,2,4-thiadiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(3-ethyl-1,2,4-thiadiazol-5-yl)acetic acid
PubChem CID82411882
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name2-(3-ethyl-1,2,4-thiadiazol-5-yl)acetic acid
SMILESCCc1nsc(CC(=O)O)n1
InChIInChI=1S/C6H8N2O2S/c1-2-4-7-5(11-8-4)3-6(9)10/h2-3H2,1H3,(H,9,10)
InChIKeyXXSNMGZGRFRAPV-UHFFFAOYSA-N
XLogP0.73
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1,2,4-thiadiazol-5-yl)acetic acid?
The IUPAC name of 2-(3-ethyl-1,2,4-thiadiazol-5-yl)acetic acid (CID 82411882) is 2-(3-ethyl-1,2,4-thiadiazol-5-yl)acetic acid.
What is the SMILES notation for 2-(3-ethyl-1,2,4-thiadiazol-5-yl)acetic acid?
The canonical SMILES for 2-(3-ethyl-1,2,4-thiadiazol-5-yl)acetic acid is CCc1nsc(CC(=O)O)n1.
What is the InChIKey of 2-(3-ethyl-1,2,4-thiadiazol-5-yl)acetic acid?
The InChIKey is XXSNMGZGRFRAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c1-2-4-7-5(11-8-4)3-6(9)10/h2-3H2,1H3,(H,9,10).
What are the key properties of 2-(3-ethyl-1,2,4-thiadiazol-5-yl)acetic acid?
2-(3-ethyl-1,2,4-thiadiazol-5-yl)acetic acid has a molecular weight of 172.21 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1,2,4-thiadiazol-5-yl)acetic acid is sourced from PubChem (CID 82411882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).