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

C10H15N5O3S — CID 63791016

IUPAC2-propyl-3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)Cn1cnnn1
InChIInChI=1S/C10H15N5O3S/c1-2-3-9-15(7(5-19-9)10(17)18)8(16)4-14-6-11-12-13-14/h6-7,9H,2-5H2,1H3,(H,17,18)
InChIKeyKTBGYKWNUSBISS-UHFFFAOYSA-N
MW285.33 g/mol
LogP-0.17
Rot. Bonds5

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

2-propyl-3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63791016) has the molecular formula C10H15N5O3S and a molecular weight of 285.33 g/mol. Its IUPAC name is 2-propyl-3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-propyl-3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID63791016
Molecular FormulaC10H15N5O3S
Molecular Weight285.33 g/mol
Exact Mass285.09
IUPAC Name2-propyl-3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)Cn1cnnn1
InChIInChI=1S/C10H15N5O3S/c1-2-3-9-15(7(5-19-9)10(17)18)8(16)4-14-6-11-12-13-14/h6-7,9H,2-5H2,1H3,(H,17,18)
InChIKeyKTBGYKWNUSBISS-UHFFFAOYSA-N
XLogP-0.17
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-propyl-3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-propyl-3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid (CID 63791016) is 2-propyl-3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-propyl-3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-propyl-3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid is CCCC1SCC(C(=O)O)N1C(=O)Cn1cnnn1.
What is the InChIKey of 2-propyl-3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is KTBGYKWNUSBISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3S/c1-2-3-9-15(7(5-19-9)10(17)18)8(16)4-14-6-11-12-13-14/h6-7,9H,2-5H2,1H3,(H,17,18).
What are the key properties of 2-propyl-3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
2-propyl-3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 285.33 g/mol, XLogP of -0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63791016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).