(E)-N-(4-fluorophenyl)-3-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-enamide

C19H17FN2O2S — CID 55785222

IUPAC(E)-N-(4-fluorophenyl)-3-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)N(Cc2csc(C)n2)c2ccc(F)cc2)o1
InChIInChI=1S/C19H17FN2O2S/c1-13-3-8-18(24-13)9-10-19(23)22(11-16-12-25-14(2)21-16)17-6-4-15(20)5-7-17/h3-10,12H,11H2,1-2H3/b10-9+
InChIKeyLIIUCUFTHBQBID-MDZDMXLPSA-N
MW356.42 g/mol
LogP4.74
Rot. Bonds5

About (E)-N-(4-fluorophenyl)-3-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-enamide

(E)-N-(4-fluorophenyl)-3-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-enamide (PubChem CID 55785222) has the molecular formula C19H17FN2O2S and a molecular weight of 356.42 g/mol. Its IUPAC name is (E)-N-(4-fluorophenyl)-3-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-fluorophenyl)-3-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-enamide
PubChem CID55785222
Molecular FormulaC19H17FN2O2S
Molecular Weight356.42 g/mol
Exact Mass356.10
IUPAC Name(E)-N-(4-fluorophenyl)-3-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)N(Cc2csc(C)n2)c2ccc(F)cc2)o1
InChIInChI=1S/C19H17FN2O2S/c1-13-3-8-18(24-13)9-10-19(23)22(11-16-12-25-14(2)21-16)17-6-4-15(20)5-7-17/h3-10,12H,11H2,1-2H3/b10-9+
InChIKeyLIIUCUFTHBQBID-MDZDMXLPSA-N
XLogP4.74
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.74
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 (E)-N-(4-fluorophenyl)-3-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-enamide?
The IUPAC name of (E)-N-(4-fluorophenyl)-3-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-enamide (CID 55785222) is (E)-N-(4-fluorophenyl)-3-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(4-fluorophenyl)-3-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-enamide?
The canonical SMILES for (E)-N-(4-fluorophenyl)-3-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-enamide is Cc1ccc(/C=C/C(=O)N(Cc2csc(C)n2)c2ccc(F)cc2)o1.
What is the InChIKey of (E)-N-(4-fluorophenyl)-3-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-enamide?
The InChIKey is LIIUCUFTHBQBID-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H17FN2O2S/c1-13-3-8-18(24-13)9-10-19(23)22(11-16-12-25-14(2)21-16)17-6-4-15(20)5-7-17/h3-10,12H,11H2,1-2H3/b10-9+.
What are the key properties of (E)-N-(4-fluorophenyl)-3-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-enamide?
(E)-N-(4-fluorophenyl)-3-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-enamide has a molecular weight of 356.42 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-fluorophenyl)-3-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-enamide is sourced from PubChem (CID 55785222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).