5-[3-(pyrrolidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazole

C12H14N4S — CID 73439845

IUPAC5-[3-(pyrrolidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazole
SMILESc1cnc(-c2cncs2)c(CC2CCNC2)n1
InChIInChI=1S/C12H14N4S/c1-2-13-6-9(1)5-10-12(16-4-3-15-10)11-7-14-8-17-11/h3-4,7-9,13H,1-2,5-6H2
InChIKeyGSPHLHVOYYNWQU-UHFFFAOYSA-N
MW246.34 g/mol
LogP1.75
Rot. Bonds3

About 5-[3-(pyrrolidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazole

5-[3-(pyrrolidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazole (PubChem CID 73439845) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is 5-[3-(pyrrolidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-[3-(pyrrolidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazole
PubChem CID73439845
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC Name5-[3-(pyrrolidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazole
SMILESc1cnc(-c2cncs2)c(CC2CCNC2)n1
InChIInChI=1S/C12H14N4S/c1-2-13-6-9(1)5-10-12(16-4-3-15-10)11-7-14-8-17-11/h3-4,7-9,13H,1-2,5-6H2
InChIKeyGSPHLHVOYYNWQU-UHFFFAOYSA-N
XLogP1.75
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[3-(pyrrolidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazole 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 5-[3-(pyrrolidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazole?
The IUPAC name of 5-[3-(pyrrolidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazole (CID 73439845) is 5-[3-(pyrrolidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazole.
What is the SMILES notation for 5-[3-(pyrrolidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazole?
The canonical SMILES for 5-[3-(pyrrolidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazole is c1cnc(-c2cncs2)c(CC2CCNC2)n1.
What is the InChIKey of 5-[3-(pyrrolidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazole?
The InChIKey is GSPHLHVOYYNWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c1-2-13-6-9(1)5-10-12(16-4-3-15-10)11-7-14-8-17-11/h3-4,7-9,13H,1-2,5-6H2.
What are the key properties of 5-[3-(pyrrolidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazole?
5-[3-(pyrrolidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazole has a molecular weight of 246.34 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(pyrrolidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazole is sourced from PubChem (CID 73439845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).