2-(thiatriazol-5-ylamino)propanoic acid

C4H6N4O2S — CID 117044463

IUPAC2-(thiatriazol-5-ylamino)propanoic acid
SMILESCC(Nc1nnns1)C(=O)O
InChIInChI=1S/C4H6N4O2S/c1-2(3(9)10)5-4-6-7-8-11-4/h2H,1H3,(H,9,10)(H,5,6,8)
InChIKeyLBAHOTVKHUJPSQ-UHFFFAOYSA-N
MW174.19 g/mol
LogP-0.18
Rot. Bonds3

About 2-(thiatriazol-5-ylamino)propanoic acid

2-(thiatriazol-5-ylamino)propanoic acid (PubChem CID 117044463) has the molecular formula C4H6N4O2S and a molecular weight of 174.19 g/mol. Its IUPAC name is 2-(thiatriazol-5-ylamino)propanoic acid.

Molecular Properties

Compound Name2-(thiatriazol-5-ylamino)propanoic acid
PubChem CID117044463
Molecular FormulaC4H6N4O2S
Molecular Weight174.19 g/mol
Exact Mass174.02
IUPAC Name2-(thiatriazol-5-ylamino)propanoic acid
SMILESCC(Nc1nnns1)C(=O)O
InChIInChI=1S/C4H6N4O2S/c1-2(3(9)10)5-4-6-7-8-11-4/h2H,1H3,(H,9,10)(H,5,6,8)
InChIKeyLBAHOTVKHUJPSQ-UHFFFAOYSA-N
XLogP-0.18
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.19
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(thiatriazol-5-ylamino)propanoic acid?
The IUPAC name of 2-(thiatriazol-5-ylamino)propanoic acid (CID 117044463) is 2-(thiatriazol-5-ylamino)propanoic acid.
What is the SMILES notation for 2-(thiatriazol-5-ylamino)propanoic acid?
The canonical SMILES for 2-(thiatriazol-5-ylamino)propanoic acid is CC(Nc1nnns1)C(=O)O.
What is the InChIKey of 2-(thiatriazol-5-ylamino)propanoic acid?
The InChIKey is LBAHOTVKHUJPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O2S/c1-2(3(9)10)5-4-6-7-8-11-4/h2H,1H3,(H,9,10)(H,5,6,8).
What are the key properties of 2-(thiatriazol-5-ylamino)propanoic acid?
2-(thiatriazol-5-ylamino)propanoic acid has a molecular weight of 174.19 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiatriazol-5-ylamino)propanoic acid is sourced from PubChem (CID 117044463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).