4-ethenyl-2-(phenoxymethyl)-1,3-thiazole

C12H11NOS — CID 141070913

IUPAC4-ethenyl-2-(phenoxymethyl)-1,3-thiazole
SMILESC=Cc1csc(COc2ccccc2)n1
InChIInChI=1S/C12H11NOS/c1-2-10-9-15-12(13-10)8-14-11-6-4-3-5-7-11/h2-7,9H,1,8H2
InChIKeyGXKBIHAZWIBDHR-UHFFFAOYSA-N
MW217.29 g/mol
LogP3.37
Rot. Bonds4

About 4-ethenyl-2-(phenoxymethyl)-1,3-thiazole

4-ethenyl-2-(phenoxymethyl)-1,3-thiazole (PubChem CID 141070913) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 4-ethenyl-2-(phenoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-ethenyl-2-(phenoxymethyl)-1,3-thiazole
PubChem CID141070913
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name4-ethenyl-2-(phenoxymethyl)-1,3-thiazole
SMILESC=Cc1csc(COc2ccccc2)n1
InChIInChI=1S/C12H11NOS/c1-2-10-9-15-12(13-10)8-14-11-6-4-3-5-7-11/h2-7,9H,1,8H2
InChIKeyGXKBIHAZWIBDHR-UHFFFAOYSA-N
XLogP3.37
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-(phenoxymethyl)-1,3-thiazole?
The IUPAC name of 4-ethenyl-2-(phenoxymethyl)-1,3-thiazole (CID 141070913) is 4-ethenyl-2-(phenoxymethyl)-1,3-thiazole.
What is the SMILES notation for 4-ethenyl-2-(phenoxymethyl)-1,3-thiazole?
The canonical SMILES for 4-ethenyl-2-(phenoxymethyl)-1,3-thiazole is C=Cc1csc(COc2ccccc2)n1.
What is the InChIKey of 4-ethenyl-2-(phenoxymethyl)-1,3-thiazole?
The InChIKey is GXKBIHAZWIBDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c1-2-10-9-15-12(13-10)8-14-11-6-4-3-5-7-11/h2-7,9H,1,8H2.
What are the key properties of 4-ethenyl-2-(phenoxymethyl)-1,3-thiazole?
4-ethenyl-2-(phenoxymethyl)-1,3-thiazole has a molecular weight of 217.29 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-(phenoxymethyl)-1,3-thiazole is sourced from PubChem (CID 141070913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).