(2S)-2-(thiatriazol-5-ylcarbamoylamino)propanoic acid

C5H7N5O3S — CID 104983040

IUPAC(2S)-2-(thiatriazol-5-ylcarbamoylamino)propanoic acid
SMILESC[C@H](NC(=O)Nc1nnns1)C(=O)O
InChIInChI=1S/C5H7N5O3S/c1-2(3(11)12)6-4(13)7-5-8-9-10-14-5/h2H,1H3,(H,11,12)(H2,6,7,8,10,13)/t2-/m0/s1
InChIKeyLQCSGDDFTUAXEU-REOHCLBHSA-N
MW217.21 g/mol
LogP-0.47
Rot. Bonds3

About (2S)-2-(thiatriazol-5-ylcarbamoylamino)propanoic acid

(2S)-2-(thiatriazol-5-ylcarbamoylamino)propanoic acid (PubChem CID 104983040) has the molecular formula C5H7N5O3S and a molecular weight of 217.21 g/mol. Its IUPAC name is (2S)-2-(thiatriazol-5-ylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(thiatriazol-5-ylcarbamoylamino)propanoic acid
PubChem CID104983040
Molecular FormulaC5H7N5O3S
Molecular Weight217.21 g/mol
Exact Mass217.03
IUPAC Name(2S)-2-(thiatriazol-5-ylcarbamoylamino)propanoic acid
SMILESC[C@H](NC(=O)Nc1nnns1)C(=O)O
InChIInChI=1S/C5H7N5O3S/c1-2(3(11)12)6-4(13)7-5-8-9-10-14-5/h2H,1H3,(H,11,12)(H2,6,7,8,10,13)/t2-/m0/s1
InChIKeyLQCSGDDFTUAXEU-REOHCLBHSA-N
XLogP-0.47
TPSA117.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3,4-Thiadiazol-2-ylcarbamoylamino)butanoic acid
CID 61192362
2-(1,3,4-Thiadiazol-2-ylcarbamoylamino)propanoic acid
CID 61192589
(2S)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid
CID 61192835
(2R)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)butanoic acid
CID 65809120
(2R)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid
CID 78972625
(2R)-2-[(2-methyltetrazol-5-yl)carbamoylamino]propanoic acid
CID 81582383
2-[(2-Methyltetrazol-5-yl)carbamoylamino]propanoic acid
CID 81584062
(2S)-2-[(2-methyltetrazol-5-yl)carbamoylamino]propanoic acid
CID 81584194
(2S)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)butanoic acid
CID 81671248
(2R)-3-hydroxy-2-(thiatriazol-5-ylcarbamoylamino)propanoic acid
CID 104983025
(2R)-2-(thiatriazol-5-ylcarbamoylamino)butanedioic acid
CID 104983028
(2R)-4-methylsulfanyl-2-(thiatriazol-5-ylcarbamoylamino)butanoic acid
CID 104983033

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(thiatriazol-5-ylcarbamoylamino)propanoic acid?
The IUPAC name of (2S)-2-(thiatriazol-5-ylcarbamoylamino)propanoic acid (CID 104983040) is (2S)-2-(thiatriazol-5-ylcarbamoylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(thiatriazol-5-ylcarbamoylamino)propanoic acid?
The canonical SMILES for (2S)-2-(thiatriazol-5-ylcarbamoylamino)propanoic acid is C[C@H](NC(=O)Nc1nnns1)C(=O)O.
What is the InChIKey of (2S)-2-(thiatriazol-5-ylcarbamoylamino)propanoic acid?
The InChIKey is LQCSGDDFTUAXEU-REOHCLBHSA-N. The full InChI is InChI=1S/C5H7N5O3S/c1-2(3(11)12)6-4(13)7-5-8-9-10-14-5/h2H,1H3,(H,11,12)(H2,6,7,8,10,13)/t2-/m0/s1.
What are the key properties of (2S)-2-(thiatriazol-5-ylcarbamoylamino)propanoic acid?
(2S)-2-(thiatriazol-5-ylcarbamoylamino)propanoic acid has a molecular weight of 217.21 g/mol, XLogP of -0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(thiatriazol-5-ylcarbamoylamino)propanoic acid is sourced from PubChem (CID 104983040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).