ethyl 2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-4-yl]prop-2-enoate

C10H10F3NO2S — CID 91349885

IUPACethyl 2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-4-yl]prop-2-enoate
SMILESCCOC(=O)C(C)=Cc1csc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3NO2S/c1-3-16-8(15)6(2)4-7-5-17-9(14-7)10(11,12)13/h4-5H,3H2,1-2H3
InChIKeyOHIGLUIKVXCJFC-UHFFFAOYSA-N
MW265.26 g/mol
LogP3.13
Rot. Bonds3

About ethyl 2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-4-yl]prop-2-enoate

ethyl 2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-4-yl]prop-2-enoate (PubChem CID 91349885) has the molecular formula C10H10F3NO2S and a molecular weight of 265.26 g/mol. Its IUPAC name is ethyl 2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-4-yl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-4-yl]prop-2-enoate
PubChem CID91349885
Molecular FormulaC10H10F3NO2S
Molecular Weight265.26 g/mol
Exact Mass265.04
IUPAC Nameethyl 2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-4-yl]prop-2-enoate
SMILESCCOC(=O)C(C)=Cc1csc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3NO2S/c1-3-16-8(15)6(2)4-7-5-17-9(14-7)10(11,12)13/h4-5H,3H2,1-2H3
InChIKeyOHIGLUIKVXCJFC-UHFFFAOYSA-N
XLogP3.13
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-4-yl]prop-2-enoate?
The IUPAC name of ethyl 2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-4-yl]prop-2-enoate (CID 91349885) is ethyl 2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-4-yl]prop-2-enoate.
What is the SMILES notation for ethyl 2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-4-yl]prop-2-enoate?
The canonical SMILES for ethyl 2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-4-yl]prop-2-enoate is CCOC(=O)C(C)=Cc1csc(C(F)(F)F)n1.
What is the InChIKey of ethyl 2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-4-yl]prop-2-enoate?
The InChIKey is OHIGLUIKVXCJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2S/c1-3-16-8(15)6(2)4-7-5-17-9(14-7)10(11,12)13/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-4-yl]prop-2-enoate?
ethyl 2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-4-yl]prop-2-enoate has a molecular weight of 265.26 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-4-yl]prop-2-enoate is sourced from PubChem (CID 91349885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).