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

C20H17FN2OS — CID 24524728

IUPAC(E)-N-(2-ethylphenyl)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enamide
SMILESCCc1ccccc1NC(=O)/C=C/c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H17FN2OS/c1-2-14-5-3-4-6-18(14)23-19(24)12-11-17-13-25-20(22-17)15-7-9-16(21)10-8-15/h3-13H,2H2,1H3,(H,23,24)/b12-11+
InChIKeyCXWRCQMXIKDZST-VAWYXSNFSA-N
MW352.43 g/mol
LogP5.16
Rot. Bonds5

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

(E)-N-(2-ethylphenyl)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enamide (PubChem CID 24524728) has the molecular formula C20H17FN2OS and a molecular weight of 352.43 g/mol. Its IUPAC name is (E)-N-(2-ethylphenyl)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-ethylphenyl)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enamide
PubChem CID24524728
Molecular FormulaC20H17FN2OS
Molecular Weight352.43 g/mol
Exact Mass352.10
IUPAC Name(E)-N-(2-ethylphenyl)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enamide
SMILESCCc1ccccc1NC(=O)/C=C/c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H17FN2OS/c1-2-14-5-3-4-6-18(14)23-19(24)12-11-17-13-25-20(22-17)15-7-9-16(21)10-8-15/h3-13H,2H2,1H3,(H,23,24)/b12-11+
InChIKeyCXWRCQMXIKDZST-VAWYXSNFSA-N
XLogP5.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.43
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-ethylphenyl)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enamide?
The IUPAC name of (E)-N-(2-ethylphenyl)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enamide (CID 24524728) is (E)-N-(2-ethylphenyl)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-(2-ethylphenyl)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enamide?
The canonical SMILES for (E)-N-(2-ethylphenyl)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enamide is CCc1ccccc1NC(=O)/C=C/c1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of (E)-N-(2-ethylphenyl)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enamide?
The InChIKey is CXWRCQMXIKDZST-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H17FN2OS/c1-2-14-5-3-4-6-18(14)23-19(24)12-11-17-13-25-20(22-17)15-7-9-16(21)10-8-15/h3-13H,2H2,1H3,(H,23,24)/b12-11+.
What are the key properties of (E)-N-(2-ethylphenyl)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enamide?
(E)-N-(2-ethylphenyl)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enamide has a molecular weight of 352.43 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-ethylphenyl)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enamide is sourced from PubChem (CID 24524728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).