[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl] acetate

C9H12N2O2S — CID 66880586

IUPAC[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl] acetate
SMILESCC(=O)OC1CCN(c2nccs2)C1
InChIInChI=1S/C9H12N2O2S/c1-7(12)13-8-2-4-11(6-8)9-10-3-5-14-9/h3,5,8H,2,4,6H2,1H3
InChIKeyZFRBKUUTHZPOPC-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.28
Rot. Bonds2

About [1-(1,3-thiazol-2-yl)pyrrolidin-3-yl] acetate

[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl] acetate (PubChem CID 66880586) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is [1-(1,3-thiazol-2-yl)pyrrolidin-3-yl] acetate.

Molecular Properties

Compound Name[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl] acetate
PubChem CID66880586
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl] acetate
SMILESCC(=O)OC1CCN(c2nccs2)C1
InChIInChI=1S/C9H12N2O2S/c1-7(12)13-8-2-4-11(6-8)9-10-3-5-14-9/h3,5,8H,2,4,6H2,1H3
InChIKeyZFRBKUUTHZPOPC-UHFFFAOYSA-N
XLogP1.28
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(1,3-thiazol-2-yl)pyrrolidin-3-yl] acetate?
The IUPAC name of [1-(1,3-thiazol-2-yl)pyrrolidin-3-yl] acetate (CID 66880586) is [1-(1,3-thiazol-2-yl)pyrrolidin-3-yl] acetate.
What is the SMILES notation for [1-(1,3-thiazol-2-yl)pyrrolidin-3-yl] acetate?
The canonical SMILES for [1-(1,3-thiazol-2-yl)pyrrolidin-3-yl] acetate is CC(=O)OC1CCN(c2nccs2)C1.
What is the InChIKey of [1-(1,3-thiazol-2-yl)pyrrolidin-3-yl] acetate?
The InChIKey is ZFRBKUUTHZPOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-7(12)13-8-2-4-11(6-8)9-10-3-5-14-9/h3,5,8H,2,4,6H2,1H3.
What are the key properties of [1-(1,3-thiazol-2-yl)pyrrolidin-3-yl] acetate?
[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl] acetate has a molecular weight of 212.27 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-thiazol-2-yl)pyrrolidin-3-yl] acetate is sourced from PubChem (CID 66880586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).