2-ethoxy-4-iodo-1,3-thiazole

C5H6INOS — CID 143750870

IUPAC2-ethoxy-4-iodo-1,3-thiazole
SMILESCCOc1nc(I)cs1
InChIInChI=1S/C5H6INOS/c1-2-8-5-7-4(6)3-9-5/h3H,2H2,1H3
InChIKeyIRLRXCYBVIULNL-UHFFFAOYSA-N
MW255.08 g/mol
LogP2.15
Rot. Bonds2

About 2-ethoxy-4-iodo-1,3-thiazole

2-ethoxy-4-iodo-1,3-thiazole (PubChem CID 143750870) has the molecular formula C5H6INOS and a molecular weight of 255.08 g/mol. Its IUPAC name is 2-ethoxy-4-iodo-1,3-thiazole.

Molecular Properties

Compound Name2-ethoxy-4-iodo-1,3-thiazole
PubChem CID143750870
Molecular FormulaC5H6INOS
Molecular Weight255.08 g/mol
Exact Mass254.92
IUPAC Name2-ethoxy-4-iodo-1,3-thiazole
SMILESCCOc1nc(I)cs1
InChIInChI=1S/C5H6INOS/c1-2-8-5-7-4(6)3-9-5/h3H,2H2,1H3
InChIKeyIRLRXCYBVIULNL-UHFFFAOYSA-N
XLogP2.15
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.08
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-iodo-1,3-thiazole?
The IUPAC name of 2-ethoxy-4-iodo-1,3-thiazole (CID 143750870) is 2-ethoxy-4-iodo-1,3-thiazole.
What is the SMILES notation for 2-ethoxy-4-iodo-1,3-thiazole?
The canonical SMILES for 2-ethoxy-4-iodo-1,3-thiazole is CCOc1nc(I)cs1.
What is the InChIKey of 2-ethoxy-4-iodo-1,3-thiazole?
The InChIKey is IRLRXCYBVIULNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6INOS/c1-2-8-5-7-4(6)3-9-5/h3H,2H2,1H3.
What are the key properties of 2-ethoxy-4-iodo-1,3-thiazole?
2-ethoxy-4-iodo-1,3-thiazole has a molecular weight of 255.08 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-iodo-1,3-thiazole is sourced from PubChem (CID 143750870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).