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

Analyze 2-(thiatriazol-5-ylamino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tetrazolylalanine
CID 53960046
2-(2H-tetrazol-5-ylamino)propanoic acid
CID 22229335
(2R)-2-(2H-tetrazol-5-ylamino)propanoic acid
CID 70146935
methyl (2R)-2-(thiatriazol-5-ylamino)propanoate
CID 39847253
2-(1,3,4-Thiadiazol-2-ylamino)propanoic acid
CID 64159755
(2S)-2-(thiatriazol-5-ylcarbamoylamino)propanoic acid
CID 104983040
(2R)-2-(thiatriazol-5-ylcarbamoylamino)butanoic acid
CID 104983049
(2R)-2-(thiatriazol-5-ylcarbamoylamino)propanoic acid
CID 104983055
(2S)-2-(thiatriazol-5-ylcarbamoylamino)butanoic acid
CID 104983056
2-(Thiatriazol-5-ylcarbamoylamino)propanoic acid
CID 114913298
2-(Thiatriazol-5-ylcarbamoylamino)butanoic acid
CID 114913359
2-[Methyl(thiatriazol-5-ylcarbamoyl)amino]propanoic acid
CID 114913546

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).