2-(diethoxymethyl)-1,3-thiazole

C8H13NO2S — CID 18324465

IUPAC2-(diethoxymethyl)-1,3-thiazole
SMILESCCOC(OCC)c1nccs1
InChIInChI=1S/C8H13NO2S/c1-3-10-8(11-4-2)7-9-5-6-12-7/h5-6,8H,3-4H2,1-2H3
InChIKeyNYSNEKLZVZGNCF-UHFFFAOYSA-N
MW187.26 g/mol
LogP2.21
Rot. Bonds5

About 2-(diethoxymethyl)-1,3-thiazole

2-(diethoxymethyl)-1,3-thiazole (PubChem CID 18324465) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is 2-(diethoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(diethoxymethyl)-1,3-thiazole
PubChem CID18324465
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name2-(diethoxymethyl)-1,3-thiazole
SMILESCCOC(OCC)c1nccs1
InChIInChI=1S/C8H13NO2S/c1-3-10-8(11-4-2)7-9-5-6-12-7/h5-6,8H,3-4H2,1-2H3
InChIKeyNYSNEKLZVZGNCF-UHFFFAOYSA-N
XLogP2.21
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(diethoxymethyl)-1,3-thiazole?
The IUPAC name of 2-(diethoxymethyl)-1,3-thiazole (CID 18324465) is 2-(diethoxymethyl)-1,3-thiazole.
What is the SMILES notation for 2-(diethoxymethyl)-1,3-thiazole?
The canonical SMILES for 2-(diethoxymethyl)-1,3-thiazole is CCOC(OCC)c1nccs1.
What is the InChIKey of 2-(diethoxymethyl)-1,3-thiazole?
The InChIKey is NYSNEKLZVZGNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-3-10-8(11-4-2)7-9-5-6-12-7/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 2-(diethoxymethyl)-1,3-thiazole?
2-(diethoxymethyl)-1,3-thiazole has a molecular weight of 187.26 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethoxymethyl)-1,3-thiazole is sourced from PubChem (CID 18324465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).