3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid

C7H9N5O3S — CID 24710137

IUPAC3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)Cn1cnnn1
InChIInChI=1S/C7H9N5O3S/c13-6(1-11-3-8-9-10-11)12-4-16-2-5(12)7(14)15/h3,5H,1-2,4H2,(H,14,15)
InChIKeyPLLSTLGAWQPQNV-UHFFFAOYSA-N
MW243.25 g/mol
LogP-1.34
Rot. Bonds3

About 3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid

3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 24710137) has the molecular formula C7H9N5O3S and a molecular weight of 243.25 g/mol. Its IUPAC name is 3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID24710137
Molecular FormulaC7H9N5O3S
Molecular Weight243.25 g/mol
Exact Mass243.04
IUPAC Name3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)Cn1cnnn1
InChIInChI=1S/C7H9N5O3S/c13-6(1-11-3-8-9-10-11)12-4-16-2-5(12)7(14)15/h3,5H,1-2,4H2,(H,14,15)
InChIKeyPLLSTLGAWQPQNV-UHFFFAOYSA-N
XLogP-1.34
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 5-1.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid (CID 24710137) is 3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1C(=O)Cn1cnnn1.
What is the InChIKey of 3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is PLLSTLGAWQPQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O3S/c13-6(1-11-3-8-9-10-11)12-4-16-2-5(12)7(14)15/h3,5H,1-2,4H2,(H,14,15).
What are the key properties of 3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 243.25 g/mol, XLogP of -1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 24710137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).