5-[(3-ethylazetidin-3-yl)methyl]-2-methyl-1,3-thiazole

C10H16N2S — CID 79451564

IUPAC5-[(3-ethylazetidin-3-yl)methyl]-2-methyl-1,3-thiazole
SMILESCCC1(Cc2cnc(C)s2)CNC1
InChIInChI=1S/C10H16N2S/c1-3-10(6-11-7-10)4-9-5-12-8(2)13-9/h5,11H,3-4,6-7H2,1-2H3
InChIKeyNIFLUTVADPHHOY-UHFFFAOYSA-N
MW196.32 g/mol
LogP1.99
Rot. Bonds3

About 5-[(3-ethylazetidin-3-yl)methyl]-2-methyl-1,3-thiazole

5-[(3-ethylazetidin-3-yl)methyl]-2-methyl-1,3-thiazole (PubChem CID 79451564) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 5-[(3-ethylazetidin-3-yl)methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[(3-ethylazetidin-3-yl)methyl]-2-methyl-1,3-thiazole
PubChem CID79451564
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name5-[(3-ethylazetidin-3-yl)methyl]-2-methyl-1,3-thiazole
SMILESCCC1(Cc2cnc(C)s2)CNC1
InChIInChI=1S/C10H16N2S/c1-3-10(6-11-7-10)4-9-5-12-8(2)13-9/h5,11H,3-4,6-7H2,1-2H3
InChIKeyNIFLUTVADPHHOY-UHFFFAOYSA-N
XLogP1.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(3-ethylazetidin-3-yl)methyl]-2-methyl-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-ethylazetidin-3-yl)methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 5-[(3-ethylazetidin-3-yl)methyl]-2-methyl-1,3-thiazole (CID 79451564) is 5-[(3-ethylazetidin-3-yl)methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-[(3-ethylazetidin-3-yl)methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 5-[(3-ethylazetidin-3-yl)methyl]-2-methyl-1,3-thiazole is CCC1(Cc2cnc(C)s2)CNC1.
What is the InChIKey of 5-[(3-ethylazetidin-3-yl)methyl]-2-methyl-1,3-thiazole?
The InChIKey is NIFLUTVADPHHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-3-10(6-11-7-10)4-9-5-12-8(2)13-9/h5,11H,3-4,6-7H2,1-2H3.
What are the key properties of 5-[(3-ethylazetidin-3-yl)methyl]-2-methyl-1,3-thiazole?
5-[(3-ethylazetidin-3-yl)methyl]-2-methyl-1,3-thiazole has a molecular weight of 196.32 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethylazetidin-3-yl)methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 79451564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).