2-(4-ethoxyoxan-4-yl)-4-methyl-1,3-thiazole

C11H17NO2S — CID 116782646

IUPAC2-(4-ethoxyoxan-4-yl)-4-methyl-1,3-thiazole
SMILESCCOC1(c2nc(C)cs2)CCOCC1
InChIInChI=1S/C11H17NO2S/c1-3-14-11(4-6-13-7-5-11)10-12-9(2)8-15-10/h8H,3-7H2,1-2H3
InChIKeyRKWHVONMOXPKTD-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.49
Rot. Bonds3

About 2-(4-ethoxyoxan-4-yl)-4-methyl-1,3-thiazole

2-(4-ethoxyoxan-4-yl)-4-methyl-1,3-thiazole (PubChem CID 116782646) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-(4-ethoxyoxan-4-yl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-ethoxyoxan-4-yl)-4-methyl-1,3-thiazole
PubChem CID116782646
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name2-(4-ethoxyoxan-4-yl)-4-methyl-1,3-thiazole
SMILESCCOC1(c2nc(C)cs2)CCOCC1
InChIInChI=1S/C11H17NO2S/c1-3-14-11(4-6-13-7-5-11)10-12-9(2)8-15-10/h8H,3-7H2,1-2H3
InChIKeyRKWHVONMOXPKTD-UHFFFAOYSA-N
XLogP2.49
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-ethoxyoxan-4-yl)-4-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 2-(4-ethoxyoxan-4-yl)-4-methyl-1,3-thiazole?
The IUPAC name of 2-(4-ethoxyoxan-4-yl)-4-methyl-1,3-thiazole (CID 116782646) is 2-(4-ethoxyoxan-4-yl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(4-ethoxyoxan-4-yl)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(4-ethoxyoxan-4-yl)-4-methyl-1,3-thiazole is CCOC1(c2nc(C)cs2)CCOCC1.
What is the InChIKey of 2-(4-ethoxyoxan-4-yl)-4-methyl-1,3-thiazole?
The InChIKey is RKWHVONMOXPKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-3-14-11(4-6-13-7-5-11)10-12-9(2)8-15-10/h8H,3-7H2,1-2H3.
What are the key properties of 2-(4-ethoxyoxan-4-yl)-4-methyl-1,3-thiazole?
2-(4-ethoxyoxan-4-yl)-4-methyl-1,3-thiazole has a molecular weight of 227.33 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyoxan-4-yl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 116782646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).