4-(2,4,6-trimethoxyphenoxy)-1,3-thiazole

C12H13NO4S — CID 91801431

IUPAC4-(2,4,6-trimethoxyphenoxy)-1,3-thiazole
SMILESCOc1cc(OC)c(Oc2cscn2)c(OC)c1
InChIInChI=1S/C12H13NO4S/c1-14-8-4-9(15-2)12(10(5-8)16-3)17-11-6-18-7-13-11/h4-7H,1-3H3
InChIKeyHJQNTWBXFZZJNN-UHFFFAOYSA-N
MW267.31 g/mol
LogP2.96
Rot. Bonds5

About 4-(2,4,6-trimethoxyphenoxy)-1,3-thiazole

4-(2,4,6-trimethoxyphenoxy)-1,3-thiazole (PubChem CID 91801431) has the molecular formula C12H13NO4S and a molecular weight of 267.31 g/mol. Its IUPAC name is 4-(2,4,6-trimethoxyphenoxy)-1,3-thiazole.

Molecular Properties

Compound Name4-(2,4,6-trimethoxyphenoxy)-1,3-thiazole
PubChem CID91801431
Molecular FormulaC12H13NO4S
Molecular Weight267.31 g/mol
Exact Mass267.06
IUPAC Name4-(2,4,6-trimethoxyphenoxy)-1,3-thiazole
SMILESCOc1cc(OC)c(Oc2cscn2)c(OC)c1
InChIInChI=1S/C12H13NO4S/c1-14-8-4-9(15-2)12(10(5-8)16-3)17-11-6-18-7-13-11/h4-7H,1-3H3
InChIKeyHJQNTWBXFZZJNN-UHFFFAOYSA-N
XLogP2.96
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(2,4,6-trimethoxyphenoxy)-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 4-(2,4,6-trimethoxyphenoxy)-1,3-thiazole?
The IUPAC name of 4-(2,4,6-trimethoxyphenoxy)-1,3-thiazole (CID 91801431) is 4-(2,4,6-trimethoxyphenoxy)-1,3-thiazole.
What is the SMILES notation for 4-(2,4,6-trimethoxyphenoxy)-1,3-thiazole?
The canonical SMILES for 4-(2,4,6-trimethoxyphenoxy)-1,3-thiazole is COc1cc(OC)c(Oc2cscn2)c(OC)c1.
What is the InChIKey of 4-(2,4,6-trimethoxyphenoxy)-1,3-thiazole?
The InChIKey is HJQNTWBXFZZJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4S/c1-14-8-4-9(15-2)12(10(5-8)16-3)17-11-6-18-7-13-11/h4-7H,1-3H3.
What are the key properties of 4-(2,4,6-trimethoxyphenoxy)-1,3-thiazole?
4-(2,4,6-trimethoxyphenoxy)-1,3-thiazole has a molecular weight of 267.31 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4,6-trimethoxyphenoxy)-1,3-thiazole is sourced from PubChem (CID 91801431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).