(E)-3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-thiophen-2-ylprop-2-en-1-one

C18H11FN2OS2 — CID 51353091

IUPAC(E)-3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-thiophen-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1c(-c2ccc(F)cc2)nc2sccn12)c1cccs1
InChIInChI=1S/C18H11FN2OS2/c19-13-5-3-12(4-6-13)17-14(21-9-11-24-18(21)20-17)7-8-15(22)16-2-1-10-23-16/h1-11H/b8-7+
InChIKeyNMZPZFDLJAUOIF-BQYQJAHWSA-N
MW354.43 g/mol
LogP5.16
Rot. Bonds4

About (E)-3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-thiophen-2-ylprop-2-en-1-one

(E)-3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-thiophen-2-ylprop-2-en-1-one (PubChem CID 51353091) has the molecular formula C18H11FN2OS2 and a molecular weight of 354.43 g/mol. Its IUPAC name is (E)-3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-thiophen-2-ylprop-2-en-1-one
PubChem CID51353091
Molecular FormulaC18H11FN2OS2
Molecular Weight354.43 g/mol
Exact Mass354.03
IUPAC Name(E)-3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-thiophen-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1c(-c2ccc(F)cc2)nc2sccn12)c1cccs1
InChIInChI=1S/C18H11FN2OS2/c19-13-5-3-12(4-6-13)17-14(21-9-11-24-18(21)20-17)7-8-15(22)16-2-1-10-23-16/h1-11H/b8-7+
InChIKeyNMZPZFDLJAUOIF-BQYQJAHWSA-N
XLogP5.16
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.43
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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)-3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of (E)-3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-thiophen-2-ylprop-2-en-1-one (CID 51353091) is (E)-3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-thiophen-2-ylprop-2-en-1-one is O=C(/C=C/c1c(-c2ccc(F)cc2)nc2sccn12)c1cccs1.
What is the InChIKey of (E)-3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-thiophen-2-ylprop-2-en-1-one?
The InChIKey is NMZPZFDLJAUOIF-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H11FN2OS2/c19-13-5-3-12(4-6-13)17-14(21-9-11-24-18(21)20-17)7-8-15(22)16-2-1-10-23-16/h1-11H/b8-7+.
What are the key properties of (E)-3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-thiophen-2-ylprop-2-en-1-one?
(E)-3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-thiophen-2-ylprop-2-en-1-one has a molecular weight of 354.43 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 51353091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).