5-[3-(2-methoxyethyl)phenyl]-1,2-thiazole

C12H13NOS — CID 125423718

IUPAC5-[3-(2-methoxyethyl)phenyl]-1,2-thiazole
SMILESCOCCc1cccc(-c2ccns2)c1
InChIInChI=1S/C12H13NOS/c1-14-8-6-10-3-2-4-11(9-10)12-5-7-13-15-12/h2-5,7,9H,6,8H2,1H3
InChIKeyMLPJERVCCMLHRG-UHFFFAOYSA-N
MW219.31 g/mol
LogP3.00
Rot. Bonds4

About 5-[3-(2-methoxyethyl)phenyl]-1,2-thiazole

5-[3-(2-methoxyethyl)phenyl]-1,2-thiazole (PubChem CID 125423718) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is 5-[3-(2-methoxyethyl)phenyl]-1,2-thiazole.

Molecular Properties

Compound Name5-[3-(2-methoxyethyl)phenyl]-1,2-thiazole
PubChem CID125423718
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name5-[3-(2-methoxyethyl)phenyl]-1,2-thiazole
SMILESCOCCc1cccc(-c2ccns2)c1
InChIInChI=1S/C12H13NOS/c1-14-8-6-10-3-2-4-11(9-10)12-5-7-13-15-12/h2-5,7,9H,6,8H2,1H3
InChIKeyMLPJERVCCMLHRG-UHFFFAOYSA-N
XLogP3.00
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-methoxyethyl)phenyl]-1,2-thiazole?
The IUPAC name of 5-[3-(2-methoxyethyl)phenyl]-1,2-thiazole (CID 125423718) is 5-[3-(2-methoxyethyl)phenyl]-1,2-thiazole.
What is the SMILES notation for 5-[3-(2-methoxyethyl)phenyl]-1,2-thiazole?
The canonical SMILES for 5-[3-(2-methoxyethyl)phenyl]-1,2-thiazole is COCCc1cccc(-c2ccns2)c1.
What is the InChIKey of 5-[3-(2-methoxyethyl)phenyl]-1,2-thiazole?
The InChIKey is MLPJERVCCMLHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-14-8-6-10-3-2-4-11(9-10)12-5-7-13-15-12/h2-5,7,9H,6,8H2,1H3.
What are the key properties of 5-[3-(2-methoxyethyl)phenyl]-1,2-thiazole?
5-[3-(2-methoxyethyl)phenyl]-1,2-thiazole has a molecular weight of 219.31 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-methoxyethyl)phenyl]-1,2-thiazole is sourced from PubChem (CID 125423718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).