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

C10H15N5O3S — CID 55235139

IUPAC2-propan-2-yl-3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)C1SCC(C(=O)O)N1C(=O)Cn1cnnn1
InChIInChI=1S/C10H15N5O3S/c1-6(2)9-15(7(4-19-9)10(17)18)8(16)3-14-5-11-12-13-14/h5-7,9H,3-4H2,1-2H3,(H,17,18)
InChIKeyQKRNLKXOZDNWCB-UHFFFAOYSA-N
MW285.33 g/mol
LogP-0.32
Rot. Bonds4

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

2-propan-2-yl-3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 55235139) has the molecular formula C10H15N5O3S and a molecular weight of 285.33 g/mol. Its IUPAC name is 2-propan-2-yl-3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-propan-2-yl-3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID55235139
Molecular FormulaC10H15N5O3S
Molecular Weight285.33 g/mol
Exact Mass285.09
IUPAC Name2-propan-2-yl-3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)C1SCC(C(=O)O)N1C(=O)Cn1cnnn1
InChIInChI=1S/C10H15N5O3S/c1-6(2)9-15(7(4-19-9)10(17)18)8(16)3-14-5-11-12-13-14/h5-7,9H,3-4H2,1-2H3,(H,17,18)
InChIKeyQKRNLKXOZDNWCB-UHFFFAOYSA-N
XLogP-0.32
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-propan-2-yl-3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid (CID 55235139) is 2-propan-2-yl-3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-propan-2-yl-3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-propan-2-yl-3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid is CC(C)C1SCC(C(=O)O)N1C(=O)Cn1cnnn1.
What is the InChIKey of 2-propan-2-yl-3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is QKRNLKXOZDNWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3S/c1-6(2)9-15(7(4-19-9)10(17)18)8(16)3-14-5-11-12-13-14/h5-7,9H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 2-propan-2-yl-3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
2-propan-2-yl-3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 285.33 g/mol, XLogP of -0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 55235139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).