4-(1-ethoxyethenyl)-1,3-thiazole

C7H9NOS — CID 137473082

IUPAC4-(1-ethoxyethenyl)-1,3-thiazole
SMILESC=C(OCC)c1cscn1
InChIInChI=1S/C7H9NOS/c1-3-9-6(2)7-4-10-5-8-7/h4-5H,2-3H2,1H3
InChIKeyZDUUFLQIOKWPRI-UHFFFAOYSA-N
MW155.22 g/mol
LogP2.15
Rot. Bonds3

About 4-(1-ethoxyethenyl)-1,3-thiazole

4-(1-ethoxyethenyl)-1,3-thiazole (PubChem CID 137473082) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is 4-(1-ethoxyethenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(1-ethoxyethenyl)-1,3-thiazole
PubChem CID137473082
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name4-(1-ethoxyethenyl)-1,3-thiazole
SMILESC=C(OCC)c1cscn1
InChIInChI=1S/C7H9NOS/c1-3-9-6(2)7-4-10-5-8-7/h4-5H,2-3H2,1H3
InChIKeyZDUUFLQIOKWPRI-UHFFFAOYSA-N
XLogP2.15
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxyethenyl)-1,3-thiazole?
The IUPAC name of 4-(1-ethoxyethenyl)-1,3-thiazole (CID 137473082) is 4-(1-ethoxyethenyl)-1,3-thiazole.
What is the SMILES notation for 4-(1-ethoxyethenyl)-1,3-thiazole?
The canonical SMILES for 4-(1-ethoxyethenyl)-1,3-thiazole is C=C(OCC)c1cscn1.
What is the InChIKey of 4-(1-ethoxyethenyl)-1,3-thiazole?
The InChIKey is ZDUUFLQIOKWPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c1-3-9-6(2)7-4-10-5-8-7/h4-5H,2-3H2,1H3.
What are the key properties of 4-(1-ethoxyethenyl)-1,3-thiazole?
4-(1-ethoxyethenyl)-1,3-thiazole has a molecular weight of 155.22 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxyethenyl)-1,3-thiazole is sourced from PubChem (CID 137473082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).