2-(4-benzylphenoxy)-1,3-thiazole

C16H13NOS — CID 3016384

IUPAC2-(4-benzylphenoxy)-1,3-thiazole
SMILESc1ccc(Cc2ccc(Oc3nccs3)cc2)cc1
InChIInChI=1S/C16H13NOS/c1-2-4-13(5-3-1)12-14-6-8-15(9-7-14)18-16-17-10-11-19-16/h1-11H,12H2
InChIKeyOCLSTJCLYYWKQA-UHFFFAOYSA-N
MW267.35 g/mol
LogP4.53
Rot. Bonds4

About 2-(4-benzylphenoxy)-1,3-thiazole

2-(4-benzylphenoxy)-1,3-thiazole (PubChem CID 3016384) has the molecular formula C16H13NOS and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-(4-benzylphenoxy)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-benzylphenoxy)-1,3-thiazole
PubChem CID3016384
Molecular FormulaC16H13NOS
Molecular Weight267.35 g/mol
Exact Mass267.07
IUPAC Name2-(4-benzylphenoxy)-1,3-thiazole
SMILESc1ccc(Cc2ccc(Oc3nccs3)cc2)cc1
InChIInChI=1S/C16H13NOS/c1-2-4-13(5-3-1)12-14-6-8-15(9-7-14)18-16-17-10-11-19-16/h1-11H,12H2
InChIKeyOCLSTJCLYYWKQA-UHFFFAOYSA-N
XLogP4.53
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylphenoxy)-1,3-thiazole?
The IUPAC name of 2-(4-benzylphenoxy)-1,3-thiazole (CID 3016384) is 2-(4-benzylphenoxy)-1,3-thiazole.
What is the SMILES notation for 2-(4-benzylphenoxy)-1,3-thiazole?
The canonical SMILES for 2-(4-benzylphenoxy)-1,3-thiazole is c1ccc(Cc2ccc(Oc3nccs3)cc2)cc1.
What is the InChIKey of 2-(4-benzylphenoxy)-1,3-thiazole?
The InChIKey is OCLSTJCLYYWKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NOS/c1-2-4-13(5-3-1)12-14-6-8-15(9-7-14)18-16-17-10-11-19-16/h1-11H,12H2.
What are the key properties of 2-(4-benzylphenoxy)-1,3-thiazole?
2-(4-benzylphenoxy)-1,3-thiazole has a molecular weight of 267.35 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylphenoxy)-1,3-thiazole is sourced from PubChem (CID 3016384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).