2-methyl-3-(2H-tetrazol-5-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

C8H12N6O3S — CID 55235341

IUPAC2-methyl-3-(2H-tetrazol-5-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)NCc1nn[nH]n1
InChIInChI=1S/C8H12N6O3S/c1-4-14(5(3-18-4)7(15)16)8(17)9-2-6-10-12-13-11-6/h4-5H,2-3H2,1H3,(H,9,17)(H,15,16)(H,10,11,12,13)
InChIKeyZDWZUSKELSZTKU-UHFFFAOYSA-N
MW272.29 g/mol
LogP-0.74
Rot. Bonds3

About 2-methyl-3-(2H-tetrazol-5-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

2-methyl-3-(2H-tetrazol-5-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 55235341) has the molecular formula C8H12N6O3S and a molecular weight of 272.29 g/mol. Its IUPAC name is 2-methyl-3-(2H-tetrazol-5-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-(2H-tetrazol-5-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID55235341
Molecular FormulaC8H12N6O3S
Molecular Weight272.29 g/mol
Exact Mass272.07
IUPAC Name2-methyl-3-(2H-tetrazol-5-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)NCc1nn[nH]n1
InChIInChI=1S/C8H12N6O3S/c1-4-14(5(3-18-4)7(15)16)8(17)9-2-6-10-12-13-11-6/h4-5H,2-3H2,1H3,(H,9,17)(H,15,16)(H,10,11,12,13)
InChIKeyZDWZUSKELSZTKU-UHFFFAOYSA-N
XLogP-0.74
TPSA124.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2H-tetrazol-5-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-methyl-3-(2H-tetrazol-5-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (CID 55235341) is 2-methyl-3-(2H-tetrazol-5-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-(2H-tetrazol-5-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-(2H-tetrazol-5-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is CC1SCC(C(=O)O)N1C(=O)NCc1nn[nH]n1.
What is the InChIKey of 2-methyl-3-(2H-tetrazol-5-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is ZDWZUSKELSZTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O3S/c1-4-14(5(3-18-4)7(15)16)8(17)9-2-6-10-12-13-11-6/h4-5H,2-3H2,1H3,(H,9,17)(H,15,16)(H,10,11,12,13).
What are the key properties of 2-methyl-3-(2H-tetrazol-5-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
2-methyl-3-(2H-tetrazol-5-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 272.29 g/mol, XLogP of -0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2H-tetrazol-5-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 55235341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).