N-[2-(3-ethyl-2-oxo-1,3-thiazol-4-yl)ethyl]-2-fluoroprop-2-enamide

C10H13FN2O2S — CID 166429886

IUPACN-[2-(3-ethyl-2-oxo-1,3-thiazol-4-yl)ethyl]-2-fluoroprop-2-enamide
SMILESC=C(F)C(=O)NCCc1csc(=O)n1CC
InChIInChI=1S/C10H13FN2O2S/c1-3-13-8(6-16-10(13)15)4-5-12-9(14)7(2)11/h6H,2-5H2,1H3,(H,12,14)
InChIKeyHRJLGQPDQRUNAJ-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.07
Rot. Bonds5

About N-[2-(3-ethyl-2-oxo-1,3-thiazol-4-yl)ethyl]-2-fluoroprop-2-enamide

N-[2-(3-ethyl-2-oxo-1,3-thiazol-4-yl)ethyl]-2-fluoroprop-2-enamide (PubChem CID 166429886) has the molecular formula C10H13FN2O2S and a molecular weight of 244.29 g/mol. Its IUPAC name is N-[2-(3-ethyl-2-oxo-1,3-thiazol-4-yl)ethyl]-2-fluoroprop-2-enamide.

Molecular Properties

Compound NameN-[2-(3-ethyl-2-oxo-1,3-thiazol-4-yl)ethyl]-2-fluoroprop-2-enamide
PubChem CID166429886
Molecular FormulaC10H13FN2O2S
Molecular Weight244.29 g/mol
Exact Mass244.07
IUPAC NameN-[2-(3-ethyl-2-oxo-1,3-thiazol-4-yl)ethyl]-2-fluoroprop-2-enamide
SMILESC=C(F)C(=O)NCCc1csc(=O)n1CC
InChIInChI=1S/C10H13FN2O2S/c1-3-13-8(6-16-10(13)15)4-5-12-9(14)7(2)11/h6H,2-5H2,1H3,(H,12,14)
InChIKeyHRJLGQPDQRUNAJ-UHFFFAOYSA-N
XLogP1.07
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.07
H-Bond Donors ≤ 51
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 N-[2-(3-ethyl-2-oxo-1,3-thiazol-4-yl)ethyl]-2-fluoroprop-2-enamide?
The IUPAC name of N-[2-(3-ethyl-2-oxo-1,3-thiazol-4-yl)ethyl]-2-fluoroprop-2-enamide (CID 166429886) is N-[2-(3-ethyl-2-oxo-1,3-thiazol-4-yl)ethyl]-2-fluoroprop-2-enamide.
What is the SMILES notation for N-[2-(3-ethyl-2-oxo-1,3-thiazol-4-yl)ethyl]-2-fluoroprop-2-enamide?
The canonical SMILES for N-[2-(3-ethyl-2-oxo-1,3-thiazol-4-yl)ethyl]-2-fluoroprop-2-enamide is C=C(F)C(=O)NCCc1csc(=O)n1CC.
What is the InChIKey of N-[2-(3-ethyl-2-oxo-1,3-thiazol-4-yl)ethyl]-2-fluoroprop-2-enamide?
The InChIKey is HRJLGQPDQRUNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2S/c1-3-13-8(6-16-10(13)15)4-5-12-9(14)7(2)11/h6H,2-5H2,1H3,(H,12,14).
What are the key properties of N-[2-(3-ethyl-2-oxo-1,3-thiazol-4-yl)ethyl]-2-fluoroprop-2-enamide?
N-[2-(3-ethyl-2-oxo-1,3-thiazol-4-yl)ethyl]-2-fluoroprop-2-enamide has a molecular weight of 244.29 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethyl-2-oxo-1,3-thiazol-4-yl)ethyl]-2-fluoroprop-2-enamide is sourced from PubChem (CID 166429886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).