2-(1,2-thiazol-3-yl)ethyl formate

C6H7NO2S — CID 175007477

IUPAC2-(1,2-thiazol-3-yl)ethyl formate
SMILESO=COCCc1ccsn1
InChIInChI=1S/C6H7NO2S/c8-5-9-3-1-6-2-4-10-7-6/h2,4-5H,1,3H2
InChIKeyPLZXWCBRUNJSNQ-UHFFFAOYSA-N
MW157.19 g/mol
LogP0.86
Rot. Bonds4

About 2-(1,2-thiazol-3-yl)ethyl formate

2-(1,2-thiazol-3-yl)ethyl formate (PubChem CID 175007477) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is 2-(1,2-thiazol-3-yl)ethyl formate.

Molecular Properties

Compound Name2-(1,2-thiazol-3-yl)ethyl formate
PubChem CID175007477
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Name2-(1,2-thiazol-3-yl)ethyl formate
SMILESO=COCCc1ccsn1
InChIInChI=1S/C6H7NO2S/c8-5-9-3-1-6-2-4-10-7-6/h2,4-5H,1,3H2
InChIKeyPLZXWCBRUNJSNQ-UHFFFAOYSA-N
XLogP0.86
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-thiazol-3-yl)ethyl formate?
The IUPAC name of 2-(1,2-thiazol-3-yl)ethyl formate (CID 175007477) is 2-(1,2-thiazol-3-yl)ethyl formate.
What is the SMILES notation for 2-(1,2-thiazol-3-yl)ethyl formate?
The canonical SMILES for 2-(1,2-thiazol-3-yl)ethyl formate is O=COCCc1ccsn1.
What is the InChIKey of 2-(1,2-thiazol-3-yl)ethyl formate?
The InChIKey is PLZXWCBRUNJSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S/c8-5-9-3-1-6-2-4-10-7-6/h2,4-5H,1,3H2.
What are the key properties of 2-(1,2-thiazol-3-yl)ethyl formate?
2-(1,2-thiazol-3-yl)ethyl formate has a molecular weight of 157.19 g/mol, XLogP of 0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-thiazol-3-yl)ethyl formate is sourced from PubChem (CID 175007477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).