ethyl 2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate

C9H10FNO2S — CID 57191072

IUPACethyl 2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate
SMILESCCOC(=O)C(F)=Cc1csc(C)n1
InChIInChI=1S/C9H10FNO2S/c1-3-13-9(12)8(10)4-7-5-14-6(2)11-7/h4-5H,3H2,1-2H3
InChIKeyGPPKCMDUCXNVOT-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.33
Rot. Bonds3

About ethyl 2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate

ethyl 2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate (PubChem CID 57191072) has the molecular formula C9H10FNO2S and a molecular weight of 215.25 g/mol. Its IUPAC name is ethyl 2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate
PubChem CID57191072
Molecular FormulaC9H10FNO2S
Molecular Weight215.25 g/mol
Exact Mass215.04
IUPAC Nameethyl 2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate
SMILESCCOC(=O)C(F)=Cc1csc(C)n1
InChIInChI=1S/C9H10FNO2S/c1-3-13-9(12)8(10)4-7-5-14-6(2)11-7/h4-5H,3H2,1-2H3
InChIKeyGPPKCMDUCXNVOT-UHFFFAOYSA-N
XLogP2.33
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.33
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-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate?
The IUPAC name of ethyl 2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate (CID 57191072) is ethyl 2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate.
What is the SMILES notation for ethyl 2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate?
The canonical SMILES for ethyl 2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate is CCOC(=O)C(F)=Cc1csc(C)n1.
What is the InChIKey of ethyl 2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate?
The InChIKey is GPPKCMDUCXNVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2S/c1-3-13-9(12)8(10)4-7-5-14-6(2)11-7/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate?
ethyl 2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate has a molecular weight of 215.25 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate is sourced from PubChem (CID 57191072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).