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

C4H5N3O2S — CID 18689696

IUPAC2-(5-amino-1,2,4-thiadiazol-3-yl)acetic acid
SMILESNc1nc(CC(=O)O)ns1
InChIInChI=1S/C4H5N3O2S/c5-4-6-2(7-10-4)1-3(8)9/h1H2,(H,8,9)(H2,5,6,7)
InChIKeyLUHWDUKKNLAKOO-UHFFFAOYSA-N
MW159.17 g/mol
LogP-0.25
Rot. Bonds2

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

2-(5-amino-1,2,4-thiadiazol-3-yl)acetic acid (PubChem CID 18689696) has the molecular formula C4H5N3O2S and a molecular weight of 159.17 g/mol. Its IUPAC name is 2-(5-amino-1,2,4-thiadiazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-amino-1,2,4-thiadiazol-3-yl)acetic acid
PubChem CID18689696
Molecular FormulaC4H5N3O2S
Molecular Weight159.17 g/mol
Exact Mass159.01
IUPAC Name2-(5-amino-1,2,4-thiadiazol-3-yl)acetic acid
SMILESNc1nc(CC(=O)O)ns1
InChIInChI=1S/C4H5N3O2S/c5-4-6-2(7-10-4)1-3(8)9/h1H2,(H,8,9)(H2,5,6,7)
InChIKeyLUHWDUKKNLAKOO-UHFFFAOYSA-N
XLogP-0.25
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.17
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1,2,4-thiadiazol-3-yl)acetic acid?
The IUPAC name of 2-(5-amino-1,2,4-thiadiazol-3-yl)acetic acid (CID 18689696) is 2-(5-amino-1,2,4-thiadiazol-3-yl)acetic acid.
What is the SMILES notation for 2-(5-amino-1,2,4-thiadiazol-3-yl)acetic acid?
The canonical SMILES for 2-(5-amino-1,2,4-thiadiazol-3-yl)acetic acid is Nc1nc(CC(=O)O)ns1.
What is the InChIKey of 2-(5-amino-1,2,4-thiadiazol-3-yl)acetic acid?
The InChIKey is LUHWDUKKNLAKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O2S/c5-4-6-2(7-10-4)1-3(8)9/h1H2,(H,8,9)(H2,5,6,7).
What are the key properties of 2-(5-amino-1,2,4-thiadiazol-3-yl)acetic acid?
2-(5-amino-1,2,4-thiadiazol-3-yl)acetic acid has a molecular weight of 159.17 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1,2,4-thiadiazol-3-yl)acetic acid is sourced from PubChem (CID 18689696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).