ethyl 4-(3-methoxyprop-1-enyl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate

C11H12F3NO3S — CID 135324617

IUPACethyl 4-(3-methoxyprop-1-enyl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(C(F)(F)F)nc1C=CCOC
InChIInChI=1S/C11H12F3NO3S/c1-3-18-9(16)8-7(5-4-6-17-2)15-10(19-8)11(12,13)14/h4-5H,3,6H2,1-2H3
InChIKeyLCIKGZMPTGZZKP-UHFFFAOYSA-N
MW295.28 g/mol
LogP3.00
Rot. Bonds5

About ethyl 4-(3-methoxyprop-1-enyl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate

ethyl 4-(3-methoxyprop-1-enyl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate (PubChem CID 135324617) has the molecular formula C11H12F3NO3S and a molecular weight of 295.28 g/mol. Its IUPAC name is ethyl 4-(3-methoxyprop-1-enyl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-methoxyprop-1-enyl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate
PubChem CID135324617
Molecular FormulaC11H12F3NO3S
Molecular Weight295.28 g/mol
Exact Mass295.05
IUPAC Nameethyl 4-(3-methoxyprop-1-enyl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(C(F)(F)F)nc1C=CCOC
InChIInChI=1S/C11H12F3NO3S/c1-3-18-9(16)8-7(5-4-6-17-2)15-10(19-8)11(12,13)14/h4-5H,3,6H2,1-2H3
InChIKeyLCIKGZMPTGZZKP-UHFFFAOYSA-N
XLogP3.00
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-methoxyprop-1-enyl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-(3-methoxyprop-1-enyl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate (CID 135324617) is ethyl 4-(3-methoxyprop-1-enyl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-(3-methoxyprop-1-enyl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-(3-methoxyprop-1-enyl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(C(F)(F)F)nc1C=CCOC.
What is the InChIKey of ethyl 4-(3-methoxyprop-1-enyl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The InChIKey is LCIKGZMPTGZZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3S/c1-3-18-9(16)8-7(5-4-6-17-2)15-10(19-8)11(12,13)14/h4-5H,3,6H2,1-2H3.
What are the key properties of ethyl 4-(3-methoxyprop-1-enyl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
ethyl 4-(3-methoxyprop-1-enyl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate has a molecular weight of 295.28 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-methoxyprop-1-enyl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 135324617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).