ethyl propanoate;1,3-thiazole

C8H13NO2S — CID 174786803

IUPACethyl propanoate;1,3-thiazole
SMILESCCOC(=O)CC.c1cscn1
InChIInChI=1S/C5H10O2.C3H3NS/c1-3-5(6)7-4-2;1-2-5-3-4-1/h3-4H2,1-2H3;1-3H
InChIKeyJRTFBJXUXWZBPO-UHFFFAOYSA-N
MW187.26 g/mol
LogP2.10
Rot. Bonds2

About ethyl propanoate;1,3-thiazole

ethyl propanoate;1,3-thiazole (PubChem CID 174786803) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is ethyl propanoate;1,3-thiazole.

Molecular Properties

Compound Nameethyl propanoate;1,3-thiazole
PubChem CID174786803
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Nameethyl propanoate;1,3-thiazole
SMILESCCOC(=O)CC.c1cscn1
InChIInChI=1S/C5H10O2.C3H3NS/c1-3-5(6)7-4-2;1-2-5-3-4-1/h3-4H2,1-2H3;1-3H
InChIKeyJRTFBJXUXWZBPO-UHFFFAOYSA-N
XLogP2.10
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl propanoate;1,3-thiazole?
The IUPAC name of ethyl propanoate;1,3-thiazole (CID 174786803) is ethyl propanoate;1,3-thiazole.
What is the SMILES notation for ethyl propanoate;1,3-thiazole?
The canonical SMILES for ethyl propanoate;1,3-thiazole is CCOC(=O)CC.c1cscn1.
What is the InChIKey of ethyl propanoate;1,3-thiazole?
The InChIKey is JRTFBJXUXWZBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.C3H3NS/c1-3-5(6)7-4-2;1-2-5-3-4-1/h3-4H2,1-2H3;1-3H.
What are the key properties of ethyl propanoate;1,3-thiazole?
ethyl propanoate;1,3-thiazole has a molecular weight of 187.26 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl propanoate;1,3-thiazole is sourced from PubChem (CID 174786803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).