2-[4-(oxiran-2-ylmethoxy)phenoxy]-1,3-thiazole

C12H11NO3S — CID 146098550

IUPAC2-[4-(oxiran-2-ylmethoxy)phenoxy]-1,3-thiazole
SMILESc1csc(Oc2ccc(OCC3CO3)cc2)n1
InChIInChI=1S/C12H11NO3S/c1-3-10(16-12-13-5-6-17-12)4-2-9(1)14-7-11-8-15-11/h1-6,11H,7-8H2
InChIKeyKRFWQIQUPUKZGD-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.71
Rot. Bonds5

About 2-[4-(oxiran-2-ylmethoxy)phenoxy]-1,3-thiazole

2-[4-(oxiran-2-ylmethoxy)phenoxy]-1,3-thiazole (PubChem CID 146098550) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-[4-(oxiran-2-ylmethoxy)phenoxy]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(oxiran-2-ylmethoxy)phenoxy]-1,3-thiazole
PubChem CID146098550
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Name2-[4-(oxiran-2-ylmethoxy)phenoxy]-1,3-thiazole
SMILESc1csc(Oc2ccc(OCC3CO3)cc2)n1
InChIInChI=1S/C12H11NO3S/c1-3-10(16-12-13-5-6-17-12)4-2-9(1)14-7-11-8-15-11/h1-6,11H,7-8H2
InChIKeyKRFWQIQUPUKZGD-UHFFFAOYSA-N
XLogP2.71
TPSA43.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[4-(oxiran-2-ylmethoxy)phenoxy]-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-(oxiran-2-ylmethoxy)phenoxy]-1,3-thiazole?
The IUPAC name of 2-[4-(oxiran-2-ylmethoxy)phenoxy]-1,3-thiazole (CID 146098550) is 2-[4-(oxiran-2-ylmethoxy)phenoxy]-1,3-thiazole.
What is the SMILES notation for 2-[4-(oxiran-2-ylmethoxy)phenoxy]-1,3-thiazole?
The canonical SMILES for 2-[4-(oxiran-2-ylmethoxy)phenoxy]-1,3-thiazole is c1csc(Oc2ccc(OCC3CO3)cc2)n1.
What is the InChIKey of 2-[4-(oxiran-2-ylmethoxy)phenoxy]-1,3-thiazole?
The InChIKey is KRFWQIQUPUKZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S/c1-3-10(16-12-13-5-6-17-12)4-2-9(1)14-7-11-8-15-11/h1-6,11H,7-8H2.
What are the key properties of 2-[4-(oxiran-2-ylmethoxy)phenoxy]-1,3-thiazole?
2-[4-(oxiran-2-ylmethoxy)phenoxy]-1,3-thiazole has a molecular weight of 249.29 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxiran-2-ylmethoxy)phenoxy]-1,3-thiazole is sourced from PubChem (CID 146098550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).