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

C24H15FN2OS — CID 70896693

IUPAC3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-naphthalen-2-ylprop-2-en-1-one
SMILESO=C(C=Cc1c(-c2ccc(F)cc2)nc2sccn12)c1ccc2ccccc2c1
InChIInChI=1S/C24H15FN2OS/c25-20-9-7-17(8-10-20)23-21(27-13-14-29-24(27)26-23)11-12-22(28)19-6-5-16-3-1-2-4-18(16)15-19/h1-15H
InChIKeyQZQYWVPQPJIFCT-UHFFFAOYSA-N
MW398.46 g/mol
LogP6.25
Rot. Bonds4

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

3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-naphthalen-2-ylprop-2-en-1-one (PubChem CID 70896693) has the molecular formula C24H15FN2OS and a molecular weight of 398.46 g/mol. Its IUPAC name is 3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-naphthalen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-naphthalen-2-ylprop-2-en-1-one
PubChem CID70896693
Molecular FormulaC24H15FN2OS
Molecular Weight398.46 g/mol
Exact Mass398.09
IUPAC Name3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-naphthalen-2-ylprop-2-en-1-one
SMILESO=C(C=Cc1c(-c2ccc(F)cc2)nc2sccn12)c1ccc2ccccc2c1
InChIInChI=1S/C24H15FN2OS/c25-20-9-7-17(8-10-20)23-21(27-13-14-29-24(27)26-23)11-12-22(28)19-6-5-16-3-1-2-4-18(16)15-19/h1-15H
InChIKeyQZQYWVPQPJIFCT-UHFFFAOYSA-N
XLogP6.25
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.46
LogP ≤ 56.25
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-naphthalen-2-ylprop-2-en-1-one?
The IUPAC name of 3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-naphthalen-2-ylprop-2-en-1-one (CID 70896693) is 3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-naphthalen-2-ylprop-2-en-1-one.
What is the SMILES notation for 3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-naphthalen-2-ylprop-2-en-1-one?
The canonical SMILES for 3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-naphthalen-2-ylprop-2-en-1-one is O=C(C=Cc1c(-c2ccc(F)cc2)nc2sccn12)c1ccc2ccccc2c1.
What is the InChIKey of 3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-naphthalen-2-ylprop-2-en-1-one?
The InChIKey is QZQYWVPQPJIFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15FN2OS/c25-20-9-7-17(8-10-20)23-21(27-13-14-29-24(27)26-23)11-12-22(28)19-6-5-16-3-1-2-4-18(16)15-19/h1-15H.
What are the key properties of 3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-naphthalen-2-ylprop-2-en-1-one?
3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-naphthalen-2-ylprop-2-en-1-one has a molecular weight of 398.46 g/mol, XLogP of 6.25, 4 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-naphthalen-2-ylprop-2-en-1-one is sourced from PubChem (CID 70896693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).