1-[2-(2-ethoxyethyl)-1,3-thiazol-5-yl]ethanone

C9H13NO2S — CID 106815106

IUPAC1-[2-(2-ethoxyethyl)-1,3-thiazol-5-yl]ethanone
SMILESCCOCCc1ncc(C(C)=O)s1
InChIInChI=1S/C9H13NO2S/c1-3-12-5-4-9-10-6-8(13-9)7(2)11/h6H,3-5H2,1-2H3
InChIKeyHKOKTVDQEWERBF-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.92
Rot. Bonds5

About 1-[2-(2-ethoxyethyl)-1,3-thiazol-5-yl]ethanone

1-[2-(2-ethoxyethyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 106815106) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is 1-[2-(2-ethoxyethyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2-ethoxyethyl)-1,3-thiazol-5-yl]ethanone
PubChem CID106815106
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Name1-[2-(2-ethoxyethyl)-1,3-thiazol-5-yl]ethanone
SMILESCCOCCc1ncc(C(C)=O)s1
InChIInChI=1S/C9H13NO2S/c1-3-12-5-4-9-10-6-8(13-9)7(2)11/h6H,3-5H2,1-2H3
InChIKeyHKOKTVDQEWERBF-UHFFFAOYSA-N
XLogP1.92
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxyethyl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(2-ethoxyethyl)-1,3-thiazol-5-yl]ethanone (CID 106815106) is 1-[2-(2-ethoxyethyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(2-ethoxyethyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(2-ethoxyethyl)-1,3-thiazol-5-yl]ethanone is CCOCCc1ncc(C(C)=O)s1.
What is the InChIKey of 1-[2-(2-ethoxyethyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is HKOKTVDQEWERBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-3-12-5-4-9-10-6-8(13-9)7(2)11/h6H,3-5H2,1-2H3.
What are the key properties of 1-[2-(2-ethoxyethyl)-1,3-thiazol-5-yl]ethanone?
1-[2-(2-ethoxyethyl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 199.27 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxyethyl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 106815106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).