2-[4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperazin-1-yl]-1,3-thiazole

C15H21N5OS — CID 46981093

IUPAC2-[4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperazin-1-yl]-1,3-thiazole
SMILESCOCCc1ncc(CN2CCN(c3nccs3)CC2)cn1
InChIInChI=1S/C15H21N5OS/c1-21-8-2-14-17-10-13(11-18-14)12-19-4-6-20(7-5-19)15-16-3-9-22-15/h3,9-11H,2,4-8,12H2,1H3
InChIKeySTYTVZMPFGRPPF-UHFFFAOYSA-N
MW319.43 g/mol
LogP1.44
Rot. Bonds6

About 2-[4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperazin-1-yl]-1,3-thiazole

2-[4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperazin-1-yl]-1,3-thiazole (PubChem CID 46981093) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-[4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperazin-1-yl]-1,3-thiazole
PubChem CID46981093
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name2-[4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperazin-1-yl]-1,3-thiazole
SMILESCOCCc1ncc(CN2CCN(c3nccs3)CC2)cn1
InChIInChI=1S/C15H21N5OS/c1-21-8-2-14-17-10-13(11-18-14)12-19-4-6-20(7-5-19)15-16-3-9-22-15/h3,9-11H,2,4-8,12H2,1H3
InChIKeySTYTVZMPFGRPPF-UHFFFAOYSA-N
XLogP1.44
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperazin-1-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 2-[4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperazin-1-yl]-1,3-thiazole (CID 46981093) is 2-[4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperazin-1-yl]-1,3-thiazole is COCCc1ncc(CN2CCN(c3nccs3)CC2)cn1.
What is the InChIKey of 2-[4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperazin-1-yl]-1,3-thiazole?
The InChIKey is STYTVZMPFGRPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-21-8-2-14-17-10-13(11-18-14)12-19-4-6-20(7-5-19)15-16-3-9-22-15/h3,9-11H,2,4-8,12H2,1H3.
What are the key properties of 2-[4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperazin-1-yl]-1,3-thiazole?
2-[4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperazin-1-yl]-1,3-thiazole has a molecular weight of 319.43 g/mol, XLogP of 1.44, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 46981093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).