3-(2-ethoxyethyl)-2H-1,3-thiazole

C7H13NOS — CID 59866161

IUPAC3-(2-ethoxyethyl)-2H-1,3-thiazole
SMILESCCOCCN1C=CSC1
InChIInChI=1S/C7H13NOS/c1-2-9-5-3-8-4-6-10-7-8/h4,6H,2-3,5,7H2,1H3
InChIKeyWRRZBVLECJACMA-UHFFFAOYSA-N
MW159.25 g/mol
LogP1.50
Rot. Bonds4

About 3-(2-ethoxyethyl)-2H-1,3-thiazole

3-(2-ethoxyethyl)-2H-1,3-thiazole (PubChem CID 59866161) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is 3-(2-ethoxyethyl)-2H-1,3-thiazole.

Molecular Properties

Compound Name3-(2-ethoxyethyl)-2H-1,3-thiazole
PubChem CID59866161
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name3-(2-ethoxyethyl)-2H-1,3-thiazole
SMILESCCOCCN1C=CSC1
InChIInChI=1S/C7H13NOS/c1-2-9-5-3-8-4-6-10-7-8/h4,6H,2-3,5,7H2,1H3
InChIKeyWRRZBVLECJACMA-UHFFFAOYSA-N
XLogP1.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-(2-ethoxyethyl)-2H-1,3-thiazole?
The IUPAC name of 3-(2-ethoxyethyl)-2H-1,3-thiazole (CID 59866161) is 3-(2-ethoxyethyl)-2H-1,3-thiazole.
What is the SMILES notation for 3-(2-ethoxyethyl)-2H-1,3-thiazole?
The canonical SMILES for 3-(2-ethoxyethyl)-2H-1,3-thiazole is CCOCCN1C=CSC1.
What is the InChIKey of 3-(2-ethoxyethyl)-2H-1,3-thiazole?
The InChIKey is WRRZBVLECJACMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c1-2-9-5-3-8-4-6-10-7-8/h4,6H,2-3,5,7H2,1H3.
What are the key properties of 3-(2-ethoxyethyl)-2H-1,3-thiazole?
3-(2-ethoxyethyl)-2H-1,3-thiazole has a molecular weight of 159.25 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethyl)-2H-1,3-thiazole is sourced from PubChem (CID 59866161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).