4-(3,4-dimethoxyphenoxy)-1,3-thiazole

C11H11NO3S — CID 91143462

IUPAC4-(3,4-dimethoxyphenoxy)-1,3-thiazole
SMILESCOc1ccc(Oc2cscn2)cc1OC
InChIInChI=1S/C11H11NO3S/c1-13-9-4-3-8(5-10(9)14-2)15-11-6-16-7-12-11/h3-7H,1-2H3
InChIKeyUELMZMBXVCBHOX-UHFFFAOYSA-N
MW237.28 g/mol
LogP2.95
Rot. Bonds4

About 4-(3,4-dimethoxyphenoxy)-1,3-thiazole

4-(3,4-dimethoxyphenoxy)-1,3-thiazole (PubChem CID 91143462) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenoxy)-1,3-thiazole.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenoxy)-1,3-thiazole
PubChem CID91143462
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Name4-(3,4-dimethoxyphenoxy)-1,3-thiazole
SMILESCOc1ccc(Oc2cscn2)cc1OC
InChIInChI=1S/C11H11NO3S/c1-13-9-4-3-8(5-10(9)14-2)15-11-6-16-7-12-11/h3-7H,1-2H3
InChIKeyUELMZMBXVCBHOX-UHFFFAOYSA-N
XLogP2.95
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenoxy)-1,3-thiazole?
The IUPAC name of 4-(3,4-dimethoxyphenoxy)-1,3-thiazole (CID 91143462) is 4-(3,4-dimethoxyphenoxy)-1,3-thiazole.
What is the SMILES notation for 4-(3,4-dimethoxyphenoxy)-1,3-thiazole?
The canonical SMILES for 4-(3,4-dimethoxyphenoxy)-1,3-thiazole is COc1ccc(Oc2cscn2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenoxy)-1,3-thiazole?
The InChIKey is UELMZMBXVCBHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c1-13-9-4-3-8(5-10(9)14-2)15-11-6-16-7-12-11/h3-7H,1-2H3.
What are the key properties of 4-(3,4-dimethoxyphenoxy)-1,3-thiazole?
4-(3,4-dimethoxyphenoxy)-1,3-thiazole has a molecular weight of 237.28 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenoxy)-1,3-thiazole is sourced from PubChem (CID 91143462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).