3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(4-phenylphenyl)prop-2-en-1-one

C26H17FN2OS — CID 70896687

IUPAC3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(4-phenylphenyl)prop-2-en-1-one
SMILESO=C(C=Cc1c(-c2ccc(F)cc2)nc2sccn12)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H17FN2OS/c27-22-12-10-21(11-13-22)25-23(29-16-17-31-26(29)28-25)14-15-24(30)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-17H
InChIKeyUASFCYAFUAIMQD-UHFFFAOYSA-N
MW424.50 g/mol
LogP6.76
Rot. Bonds5

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

3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(4-phenylphenyl)prop-2-en-1-one (PubChem CID 70896687) has the molecular formula C26H17FN2OS and a molecular weight of 424.50 g/mol. Its IUPAC name is 3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(4-phenylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(4-phenylphenyl)prop-2-en-1-one
PubChem CID70896687
Molecular FormulaC26H17FN2OS
Molecular Weight424.50 g/mol
Exact Mass424.10
IUPAC Name3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(4-phenylphenyl)prop-2-en-1-one
SMILESO=C(C=Cc1c(-c2ccc(F)cc2)nc2sccn12)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H17FN2OS/c27-22-12-10-21(11-13-22)25-23(29-16-17-31-26(29)28-25)14-15-24(30)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-17H
InChIKeyUASFCYAFUAIMQD-UHFFFAOYSA-N
XLogP6.76
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 56.76
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 3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(4-phenylphenyl)prop-2-en-1-one?
The IUPAC name of 3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(4-phenylphenyl)prop-2-en-1-one (CID 70896687) is 3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(4-phenylphenyl)prop-2-en-1-one.
What is the SMILES notation for 3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(4-phenylphenyl)prop-2-en-1-one?
The canonical SMILES for 3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(4-phenylphenyl)prop-2-en-1-one is O=C(C=Cc1c(-c2ccc(F)cc2)nc2sccn12)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(4-phenylphenyl)prop-2-en-1-one?
The InChIKey is UASFCYAFUAIMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17FN2OS/c27-22-12-10-21(11-13-22)25-23(29-16-17-31-26(29)28-25)14-15-24(30)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-17H.
What are the key properties of 3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(4-phenylphenyl)prop-2-en-1-one?
3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(4-phenylphenyl)prop-2-en-1-one has a molecular weight of 424.50 g/mol, XLogP of 6.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(4-phenylphenyl)prop-2-en-1-one is sourced from PubChem (CID 70896687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).