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

C6H4FNO2S — CID 170439054

IUPACfluoro 3-(1,3-thiazol-2-yl)prop-2-enoate
SMILESO=C(C=Cc1nccs1)OF
InChIInChI=1S/C6H4FNO2S/c7-10-6(9)2-1-5-8-3-4-11-5/h1-4H
InChIKeyXIMNJVOWRFVHTJ-UHFFFAOYSA-N
MW173.17 g/mol
LogP1.58
Rot. Bonds2

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

fluoro 3-(1,3-thiazol-2-yl)prop-2-enoate (PubChem CID 170439054) has the molecular formula C6H4FNO2S and a molecular weight of 173.17 g/mol. Its IUPAC name is fluoro 3-(1,3-thiazol-2-yl)prop-2-enoate.

Molecular Properties

Compound Namefluoro 3-(1,3-thiazol-2-yl)prop-2-enoate
PubChem CID170439054
Molecular FormulaC6H4FNO2S
Molecular Weight173.17 g/mol
Exact Mass172.99
IUPAC Namefluoro 3-(1,3-thiazol-2-yl)prop-2-enoate
SMILESO=C(C=Cc1nccs1)OF
InChIInChI=1S/C6H4FNO2S/c7-10-6(9)2-1-5-8-3-4-11-5/h1-4H
InChIKeyXIMNJVOWRFVHTJ-UHFFFAOYSA-N
XLogP1.58
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 51.58
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 fluoro 3-(1,3-thiazol-2-yl)prop-2-enoate?
The IUPAC name of fluoro 3-(1,3-thiazol-2-yl)prop-2-enoate (CID 170439054) is fluoro 3-(1,3-thiazol-2-yl)prop-2-enoate.
What is the SMILES notation for fluoro 3-(1,3-thiazol-2-yl)prop-2-enoate?
The canonical SMILES for fluoro 3-(1,3-thiazol-2-yl)prop-2-enoate is O=C(C=Cc1nccs1)OF.
What is the InChIKey of fluoro 3-(1,3-thiazol-2-yl)prop-2-enoate?
The InChIKey is XIMNJVOWRFVHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FNO2S/c7-10-6(9)2-1-5-8-3-4-11-5/h1-4H.
What are the key properties of fluoro 3-(1,3-thiazol-2-yl)prop-2-enoate?
fluoro 3-(1,3-thiazol-2-yl)prop-2-enoate has a molecular weight of 173.17 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 3-(1,3-thiazol-2-yl)prop-2-enoate is sourced from PubChem (CID 170439054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).