tert-butyl 3-(2-hydroxyethoxy)-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate

C14H22N2O4S — CID 58513754

IUPACtert-butyl 3-(2-hydroxyethoxy)-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OCCO)(c2nccs2)C1
InChIInChI=1S/C14H22N2O4S/c1-13(2,3)20-12(18)16-6-4-14(10-16,19-8-7-17)11-15-5-9-21-11/h5,9,17H,4,6-8,10H2,1-3H3
InChIKeyWGZFBKWFZMWOPF-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.99
Rot. Bonds4

About tert-butyl 3-(2-hydroxyethoxy)-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate

tert-butyl 3-(2-hydroxyethoxy)-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate (PubChem CID 58513754) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is tert-butyl 3-(2-hydroxyethoxy)-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-hydroxyethoxy)-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate
PubChem CID58513754
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Nametert-butyl 3-(2-hydroxyethoxy)-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OCCO)(c2nccs2)C1
InChIInChI=1S/C14H22N2O4S/c1-13(2,3)20-12(18)16-6-4-14(10-16,19-8-7-17)11-15-5-9-21-11/h5,9,17H,4,6-8,10H2,1-3H3
InChIKeyWGZFBKWFZMWOPF-UHFFFAOYSA-N
XLogP1.99
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 3-(2-hydroxyethoxy)-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate 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 tert-butyl 3-(2-hydroxyethoxy)-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-hydroxyethoxy)-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate (CID 58513754) is tert-butyl 3-(2-hydroxyethoxy)-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-hydroxyethoxy)-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-hydroxyethoxy)-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(OCCO)(c2nccs2)C1.
What is the InChIKey of tert-butyl 3-(2-hydroxyethoxy)-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate?
The InChIKey is WGZFBKWFZMWOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-13(2,3)20-12(18)16-6-4-14(10-16,19-8-7-17)11-15-5-9-21-11/h5,9,17H,4,6-8,10H2,1-3H3.
What are the key properties of tert-butyl 3-(2-hydroxyethoxy)-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate?
tert-butyl 3-(2-hydroxyethoxy)-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate has a molecular weight of 314.41 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-hydroxyethoxy)-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 58513754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).