1-(thiatriazol-5-yl)pyrrolidine-3-carboxylic acid

C6H8N4O2S — CID 117045236

IUPAC1-(thiatriazol-5-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(c2nnns2)C1
InChIInChI=1S/C6H8N4O2S/c11-5(12)4-1-2-10(3-4)6-7-8-9-13-6/h4H,1-3H2,(H,11,12)
InChIKeyNQBUNOLZTJKRNN-UHFFFAOYSA-N
MW200.22 g/mol
LogP-0.16
Rot. Bonds2

About 1-(thiatriazol-5-yl)pyrrolidine-3-carboxylic acid

1-(thiatriazol-5-yl)pyrrolidine-3-carboxylic acid (PubChem CID 117045236) has the molecular formula C6H8N4O2S and a molecular weight of 200.22 g/mol. Its IUPAC name is 1-(thiatriazol-5-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(thiatriazol-5-yl)pyrrolidine-3-carboxylic acid
PubChem CID117045236
Molecular FormulaC6H8N4O2S
Molecular Weight200.22 g/mol
Exact Mass200.04
IUPAC Name1-(thiatriazol-5-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(c2nnns2)C1
InChIInChI=1S/C6H8N4O2S/c11-5(12)4-1-2-10(3-4)6-7-8-9-13-6/h4H,1-3H2,(H,11,12)
InChIKeyNQBUNOLZTJKRNN-UHFFFAOYSA-N
XLogP-0.16
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-acetyl-5-methyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid
CID 122048357
1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-3-carboxylic acid
CID 122172593
1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-3-carboxylic acid
CID 120964000
[4-(thiatriazol-5-yl)morpholin-2-yl]methanol
CID 117045194
1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid
CID 6917210
1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid
CID 65209414
(3S)-1-(4-ethylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 124512511
(3R)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid
CID 30072707
1-(5-bromopyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 120964054
(3R)-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 97013871
1-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 51063831
(3R)-1-(1,2-oxazol-3-yl)pyrrolidine-3-carboxylic acid
CID 28875677

Frequently Asked Questions

What is the IUPAC name of 1-(thiatriazol-5-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(thiatriazol-5-yl)pyrrolidine-3-carboxylic acid (CID 117045236) is 1-(thiatriazol-5-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(thiatriazol-5-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(thiatriazol-5-yl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(c2nnns2)C1.
What is the InChIKey of 1-(thiatriazol-5-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is NQBUNOLZTJKRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2S/c11-5(12)4-1-2-10(3-4)6-7-8-9-13-6/h4H,1-3H2,(H,11,12).
What are the key properties of 1-(thiatriazol-5-yl)pyrrolidine-3-carboxylic acid?
1-(thiatriazol-5-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 200.22 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiatriazol-5-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117045236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).