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

C6H8N2O2S2 — CID 21403843

IUPAC2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid
SMILESCCc1nsc(SCC(=O)O)n1
InChIInChI=1S/C6H8N2O2S2/c1-2-4-7-6(12-8-4)11-3-5(9)10/h2-3H2,1H3,(H,9,10)
InChIKeyOWWQHLYCQQNFTR-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.28
Rot. Bonds4

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

2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid (PubChem CID 21403843) has the molecular formula C6H8N2O2S2 and a molecular weight of 204.28 g/mol. Its IUPAC name is 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid
PubChem CID21403843
Molecular FormulaC6H8N2O2S2
Molecular Weight204.28 g/mol
Exact Mass204.00
IUPAC Name2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid
SMILESCCc1nsc(SCC(=O)O)n1
InChIInChI=1S/C6H8N2O2S2/c1-2-4-7-6(12-8-4)11-3-5(9)10/h2-3H2,1H3,(H,9,10)
InChIKeyOWWQHLYCQQNFTR-UHFFFAOYSA-N
XLogP1.28
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid?
The IUPAC name of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid (CID 21403843) is 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid.
What is the SMILES notation for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid?
The canonical SMILES for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid is CCc1nsc(SCC(=O)O)n1.
What is the InChIKey of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid?
The InChIKey is OWWQHLYCQQNFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S2/c1-2-4-7-6(12-8-4)11-3-5(9)10/h2-3H2,1H3,(H,9,10).
What are the key properties of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid?
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid has a molecular weight of 204.28 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid is sourced from PubChem (CID 21403843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).