ethyl 2-prop-2-enoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate

C10H10F3NO3S — CID 139236654

IUPACethyl 2-prop-2-enoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
SMILESC=CCOc1nc(C(F)(F)F)c(C(=O)OCC)s1
InChIInChI=1S/C10H10F3NO3S/c1-3-5-17-9-14-7(10(11,12)13)6(18-9)8(15)16-4-2/h3H,1,4-5H2,2H3
InChIKeyHPMQAOJQLOCIFZ-UHFFFAOYSA-N
MW281.25 g/mol
LogP2.90
Rot. Bonds5

About ethyl 2-prop-2-enoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate

ethyl 2-prop-2-enoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (PubChem CID 139236654) has the molecular formula C10H10F3NO3S and a molecular weight of 281.25 g/mol. Its IUPAC name is ethyl 2-prop-2-enoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-prop-2-enoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
PubChem CID139236654
Molecular FormulaC10H10F3NO3S
Molecular Weight281.25 g/mol
Exact Mass281.03
IUPAC Nameethyl 2-prop-2-enoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
SMILESC=CCOc1nc(C(F)(F)F)c(C(=O)OCC)s1
InChIInChI=1S/C10H10F3NO3S/c1-3-5-17-9-14-7(10(11,12)13)6(18-9)8(15)16-4-2/h3H,1,4-5H2,2H3
InChIKeyHPMQAOJQLOCIFZ-UHFFFAOYSA-N
XLogP2.90
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-prop-2-enoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-prop-2-enoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (CID 139236654) is ethyl 2-prop-2-enoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-prop-2-enoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-prop-2-enoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate is C=CCOc1nc(C(F)(F)F)c(C(=O)OCC)s1.
What is the InChIKey of ethyl 2-prop-2-enoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The InChIKey is HPMQAOJQLOCIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3S/c1-3-5-17-9-14-7(10(11,12)13)6(18-9)8(15)16-4-2/h3H,1,4-5H2,2H3.
What are the key properties of ethyl 2-prop-2-enoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
ethyl 2-prop-2-enoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate has a molecular weight of 281.25 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-prop-2-enoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 139236654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).