5-ethyl-2-(2-pyrrolidin-3-ylpropyl)-1,3-thiazole

C12H20N2S — CID 135197053

IUPAC5-ethyl-2-(2-pyrrolidin-3-ylpropyl)-1,3-thiazole
SMILESCCc1cnc(CC(C)C2CCNC2)s1
InChIInChI=1S/C12H20N2S/c1-3-11-8-14-12(15-11)6-9(2)10-4-5-13-7-10/h8-10,13H,3-7H2,1-2H3
InChIKeyXUGTXUCPPJPTRG-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.49
Rot. Bonds4

About 5-ethyl-2-(2-pyrrolidin-3-ylpropyl)-1,3-thiazole

5-ethyl-2-(2-pyrrolidin-3-ylpropyl)-1,3-thiazole (PubChem CID 135197053) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 5-ethyl-2-(2-pyrrolidin-3-ylpropyl)-1,3-thiazole.

Molecular Properties

Compound Name5-ethyl-2-(2-pyrrolidin-3-ylpropyl)-1,3-thiazole
PubChem CID135197053
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name5-ethyl-2-(2-pyrrolidin-3-ylpropyl)-1,3-thiazole
SMILESCCc1cnc(CC(C)C2CCNC2)s1
InChIInChI=1S/C12H20N2S/c1-3-11-8-14-12(15-11)6-9(2)10-4-5-13-7-10/h8-10,13H,3-7H2,1-2H3
InChIKeyXUGTXUCPPJPTRG-UHFFFAOYSA-N
XLogP2.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(2-pyrrolidin-3-ylpropyl)-1,3-thiazole?
The IUPAC name of 5-ethyl-2-(2-pyrrolidin-3-ylpropyl)-1,3-thiazole (CID 135197053) is 5-ethyl-2-(2-pyrrolidin-3-ylpropyl)-1,3-thiazole.
What is the SMILES notation for 5-ethyl-2-(2-pyrrolidin-3-ylpropyl)-1,3-thiazole?
The canonical SMILES for 5-ethyl-2-(2-pyrrolidin-3-ylpropyl)-1,3-thiazole is CCc1cnc(CC(C)C2CCNC2)s1.
What is the InChIKey of 5-ethyl-2-(2-pyrrolidin-3-ylpropyl)-1,3-thiazole?
The InChIKey is XUGTXUCPPJPTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-3-11-8-14-12(15-11)6-9(2)10-4-5-13-7-10/h8-10,13H,3-7H2,1-2H3.
What are the key properties of 5-ethyl-2-(2-pyrrolidin-3-ylpropyl)-1,3-thiazole?
5-ethyl-2-(2-pyrrolidin-3-ylpropyl)-1,3-thiazole has a molecular weight of 224.37 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(2-pyrrolidin-3-ylpropyl)-1,3-thiazole is sourced from PubChem (CID 135197053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).