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

C6H9NO2S — CID 174548075

IUPAC2-(2H-1,3-thiazol-3-yl)ethyl formate
SMILESO=COCCN1C=CSC1
InChIInChI=1S/C6H9NO2S/c8-6-9-3-1-7-2-4-10-5-7/h2,4,6H,1,3,5H2
InChIKeyVHFDLZOMHHUNPB-UHFFFAOYSA-N
MW159.21 g/mol
LogP0.64
Rot. Bonds4

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

2-(2H-1,3-thiazol-3-yl)ethyl formate (PubChem CID 174548075) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is 2-(2H-1,3-thiazol-3-yl)ethyl formate.

Molecular Properties

Compound Name2-(2H-1,3-thiazol-3-yl)ethyl formate
PubChem CID174548075
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC Name2-(2H-1,3-thiazol-3-yl)ethyl formate
SMILESO=COCCN1C=CSC1
InChIInChI=1S/C6H9NO2S/c8-6-9-3-1-7-2-4-10-5-7/h2,4,6H,1,3,5H2
InChIKeyVHFDLZOMHHUNPB-UHFFFAOYSA-N
XLogP0.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.64
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-(2H-1,3-thiazol-3-yl)ethyl formate?
The IUPAC name of 2-(2H-1,3-thiazol-3-yl)ethyl formate (CID 174548075) is 2-(2H-1,3-thiazol-3-yl)ethyl formate.
What is the SMILES notation for 2-(2H-1,3-thiazol-3-yl)ethyl formate?
The canonical SMILES for 2-(2H-1,3-thiazol-3-yl)ethyl formate is O=COCCN1C=CSC1.
What is the InChIKey of 2-(2H-1,3-thiazol-3-yl)ethyl formate?
The InChIKey is VHFDLZOMHHUNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S/c8-6-9-3-1-7-2-4-10-5-7/h2,4,6H,1,3,5H2.
What are the key properties of 2-(2H-1,3-thiazol-3-yl)ethyl formate?
2-(2H-1,3-thiazol-3-yl)ethyl formate has a molecular weight of 159.21 g/mol, XLogP of 0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-1,3-thiazol-3-yl)ethyl formate is sourced from PubChem (CID 174548075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).