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

C8H8FNO2S — CID 72512038

IUPACmethyl 2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate
SMILESCOC(=O)C(F)=Cc1csc(C)n1
InChIInChI=1S/C8H8FNO2S/c1-5-10-6(4-13-5)3-7(9)8(11)12-2/h3-4H,1-2H3
InChIKeyACDBMLVXOFOXGP-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.93
Rot. Bonds2

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

methyl 2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate (PubChem CID 72512038) has the molecular formula C8H8FNO2S and a molecular weight of 201.22 g/mol. Its IUPAC name is methyl 2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate
PubChem CID72512038
Molecular FormulaC8H8FNO2S
Molecular Weight201.22 g/mol
Exact Mass201.03
IUPAC Namemethyl 2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate
SMILESCOC(=O)C(F)=Cc1csc(C)n1
InChIInChI=1S/C8H8FNO2S/c1-5-10-6(4-13-5)3-7(9)8(11)12-2/h3-4H,1-2H3
InChIKeyACDBMLVXOFOXGP-UHFFFAOYSA-N
XLogP1.93
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.93
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 methyl 2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate?
The IUPAC name of methyl 2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate (CID 72512038) is methyl 2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate.
What is the SMILES notation for methyl 2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate?
The canonical SMILES for methyl 2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate is COC(=O)C(F)=Cc1csc(C)n1.
What is the InChIKey of methyl 2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate?
The InChIKey is ACDBMLVXOFOXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO2S/c1-5-10-6(4-13-5)3-7(9)8(11)12-2/h3-4H,1-2H3.
What are the key properties of methyl 2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate?
methyl 2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate has a molecular weight of 201.22 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate is sourced from PubChem (CID 72512038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).