2-fluoro-N-(oxolan-3-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)prop-2-enamide

C12H15FN2O2S — CID 166430592

IUPAC2-fluoro-N-(oxolan-3-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)prop-2-enamide
SMILESC=C(F)C(=O)N(Cc1nccs1)CC1CCOC1
InChIInChI=1S/C12H15FN2O2S/c1-9(13)12(16)15(6-10-2-4-17-8-10)7-11-14-3-5-18-11/h3,5,10H,1-2,4,6-8H2
InChIKeyBMYQMUASVCVCJK-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.99
Rot. Bonds5

About 2-fluoro-N-(oxolan-3-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)prop-2-enamide

2-fluoro-N-(oxolan-3-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)prop-2-enamide (PubChem CID 166430592) has the molecular formula C12H15FN2O2S and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-fluoro-N-(oxolan-3-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name2-fluoro-N-(oxolan-3-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)prop-2-enamide
PubChem CID166430592
Molecular FormulaC12H15FN2O2S
Molecular Weight270.33 g/mol
Exact Mass270.08
IUPAC Name2-fluoro-N-(oxolan-3-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)prop-2-enamide
SMILESC=C(F)C(=O)N(Cc1nccs1)CC1CCOC1
InChIInChI=1S/C12H15FN2O2S/c1-9(13)12(16)15(6-10-2-4-17-8-10)7-11-14-3-5-18-11/h3,5,10H,1-2,4,6-8H2
InChIKeyBMYQMUASVCVCJK-UHFFFAOYSA-N
XLogP1.99
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.99
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 2-fluoro-N-(oxolan-3-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)prop-2-enamide?
The IUPAC name of 2-fluoro-N-(oxolan-3-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)prop-2-enamide (CID 166430592) is 2-fluoro-N-(oxolan-3-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for 2-fluoro-N-(oxolan-3-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)prop-2-enamide?
The canonical SMILES for 2-fluoro-N-(oxolan-3-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)prop-2-enamide is C=C(F)C(=O)N(Cc1nccs1)CC1CCOC1.
What is the InChIKey of 2-fluoro-N-(oxolan-3-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)prop-2-enamide?
The InChIKey is BMYQMUASVCVCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2S/c1-9(13)12(16)15(6-10-2-4-17-8-10)7-11-14-3-5-18-11/h3,5,10H,1-2,4,6-8H2.
What are the key properties of 2-fluoro-N-(oxolan-3-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)prop-2-enamide?
2-fluoro-N-(oxolan-3-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)prop-2-enamide has a molecular weight of 270.33 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(oxolan-3-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 166430592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).