5-(phenylmethoxymethyl)-1,3-thiazole

C11H11NOS — CID 1479861

IUPAC5-(phenylmethoxymethyl)-1,3-thiazole
SMILESc1ccc(COCc2cncs2)cc1
InChIInChI=1S/C11H11NOS/c1-2-4-10(5-3-1)7-13-8-11-6-12-9-14-11/h1-6,9H,7-8H2
InChIKeyVIBMYLKJXBFIGA-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.86
Rot. Bonds4

About 5-(phenylmethoxymethyl)-1,3-thiazole

5-(phenylmethoxymethyl)-1,3-thiazole (PubChem CID 1479861) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 5-(phenylmethoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(phenylmethoxymethyl)-1,3-thiazole
PubChem CID1479861
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name5-(phenylmethoxymethyl)-1,3-thiazole
SMILESc1ccc(COCc2cncs2)cc1
InChIInChI=1S/C11H11NOS/c1-2-4-10(5-3-1)7-13-8-11-6-12-9-14-11/h1-6,9H,7-8H2
InChIKeyVIBMYLKJXBFIGA-UHFFFAOYSA-N
XLogP2.86
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(phenylmethoxymethyl)-1,3-thiazole?
The IUPAC name of 5-(phenylmethoxymethyl)-1,3-thiazole (CID 1479861) is 5-(phenylmethoxymethyl)-1,3-thiazole.
What is the SMILES notation for 5-(phenylmethoxymethyl)-1,3-thiazole?
The canonical SMILES for 5-(phenylmethoxymethyl)-1,3-thiazole is c1ccc(COCc2cncs2)cc1.
What is the InChIKey of 5-(phenylmethoxymethyl)-1,3-thiazole?
The InChIKey is VIBMYLKJXBFIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-2-4-10(5-3-1)7-13-8-11-6-12-9-14-11/h1-6,9H,7-8H2.
What are the key properties of 5-(phenylmethoxymethyl)-1,3-thiazole?
5-(phenylmethoxymethyl)-1,3-thiazole has a molecular weight of 205.28 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenylmethoxymethyl)-1,3-thiazole is sourced from PubChem (CID 1479861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).