ethyl formate;1,3-thiazole

C6H9NO2S — CID 161371484

IUPACethyl formate;1,3-thiazole
SMILESCCOC=O.c1cscn1
InChIInChI=1S/C3H3NS.C3H6O2/c1-2-5-3-4-1;1-2-5-3-4/h1-3H;3H,2H2,1H3
InChIKeyVQMZQVCNWYKCQD-UHFFFAOYSA-N
MW159.21 g/mol
LogP1.32
Rot. Bonds2

About ethyl formate;1,3-thiazole

ethyl formate;1,3-thiazole (PubChem CID 161371484) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is ethyl formate;1,3-thiazole.

Molecular Properties

Compound Nameethyl formate;1,3-thiazole
PubChem CID161371484
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC Nameethyl formate;1,3-thiazole
SMILESCCOC=O.c1cscn1
InChIInChI=1S/C3H3NS.C3H6O2/c1-2-5-3-4-1;1-2-5-3-4/h1-3H;3H,2H2,1H3
InChIKeyVQMZQVCNWYKCQD-UHFFFAOYSA-N
XLogP1.32
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl formate;1,3-thiazole?
The IUPAC name of ethyl formate;1,3-thiazole (CID 161371484) is ethyl formate;1,3-thiazole.
What is the SMILES notation for ethyl formate;1,3-thiazole?
The canonical SMILES for ethyl formate;1,3-thiazole is CCOC=O.c1cscn1.
What is the InChIKey of ethyl formate;1,3-thiazole?
The InChIKey is VQMZQVCNWYKCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3NS.C3H6O2/c1-2-5-3-4-1;1-2-5-3-4/h1-3H;3H,2H2,1H3.
What are the key properties of ethyl formate;1,3-thiazole?
ethyl formate;1,3-thiazole has a molecular weight of 159.21 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl formate;1,3-thiazole is sourced from PubChem (CID 161371484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).