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

C5H6N2O2S — CID 69479872

IUPAC2-(5-methyl-1,2,4-thiadiazol-3-yl)acetic acid
SMILESCc1nc(CC(=O)O)ns1
InChIInChI=1S/C5H6N2O2S/c1-3-6-4(7-10-3)2-5(8)9/h2H2,1H3,(H,8,9)
InChIKeyHLUOWZVVIRLAQL-UHFFFAOYSA-N
MW158.18 g/mol
LogP0.47
Rot. Bonds2

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

2-(5-methyl-1,2,4-thiadiazol-3-yl)acetic acid (PubChem CID 69479872) has the molecular formula C5H6N2O2S and a molecular weight of 158.18 g/mol. Its IUPAC name is 2-(5-methyl-1,2,4-thiadiazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methyl-1,2,4-thiadiazol-3-yl)acetic acid
PubChem CID69479872
Molecular FormulaC5H6N2O2S
Molecular Weight158.18 g/mol
Exact Mass158.01
IUPAC Name2-(5-methyl-1,2,4-thiadiazol-3-yl)acetic acid
SMILESCc1nc(CC(=O)O)ns1
InChIInChI=1S/C5H6N2O2S/c1-3-6-4(7-10-3)2-5(8)9/h2H2,1H3,(H,8,9)
InChIKeyHLUOWZVVIRLAQL-UHFFFAOYSA-N
XLogP0.47
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2,4-thiadiazol-3-yl)acetic acid?
The IUPAC name of 2-(5-methyl-1,2,4-thiadiazol-3-yl)acetic acid (CID 69479872) is 2-(5-methyl-1,2,4-thiadiazol-3-yl)acetic acid.
What is the SMILES notation for 2-(5-methyl-1,2,4-thiadiazol-3-yl)acetic acid?
The canonical SMILES for 2-(5-methyl-1,2,4-thiadiazol-3-yl)acetic acid is Cc1nc(CC(=O)O)ns1.
What is the InChIKey of 2-(5-methyl-1,2,4-thiadiazol-3-yl)acetic acid?
The InChIKey is HLUOWZVVIRLAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S/c1-3-6-4(7-10-3)2-5(8)9/h2H2,1H3,(H,8,9).
What are the key properties of 2-(5-methyl-1,2,4-thiadiazol-3-yl)acetic acid?
2-(5-methyl-1,2,4-thiadiazol-3-yl)acetic acid has a molecular weight of 158.18 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2,4-thiadiazol-3-yl)acetic acid is sourced from PubChem (CID 69479872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).