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

C9H13N5O3S — CID 63791684

IUPAC2-ethyl-3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)Cn1cnnn1
InChIInChI=1S/C9H13N5O3S/c1-2-8-14(6(4-18-8)9(16)17)7(15)3-13-5-10-11-12-13/h5-6,8H,2-4H2,1H3,(H,16,17)
InChIKeyQSKWLWPTFPSUIF-UHFFFAOYSA-N
MW271.30 g/mol
LogP-0.56
Rot. Bonds4

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

2-ethyl-3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63791684) has the molecular formula C9H13N5O3S and a molecular weight of 271.30 g/mol. Its IUPAC name is 2-ethyl-3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID63791684
Molecular FormulaC9H13N5O3S
Molecular Weight271.30 g/mol
Exact Mass271.07
IUPAC Name2-ethyl-3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)Cn1cnnn1
InChIInChI=1S/C9H13N5O3S/c1-2-8-14(6(4-18-8)9(16)17)7(15)3-13-5-10-11-12-13/h5-6,8H,2-4H2,1H3,(H,16,17)
InChIKeyQSKWLWPTFPSUIF-UHFFFAOYSA-N
XLogP-0.56
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-ethyl-3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid (CID 63791684) is 2-ethyl-3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid is CCC1SCC(C(=O)O)N1C(=O)Cn1cnnn1.
What is the InChIKey of 2-ethyl-3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is QSKWLWPTFPSUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3S/c1-2-8-14(6(4-18-8)9(16)17)7(15)3-13-5-10-11-12-13/h5-6,8H,2-4H2,1H3,(H,16,17).
What are the key properties of 2-ethyl-3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
2-ethyl-3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 271.30 g/mol, XLogP of -0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63791684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).