(E)-3-(3-fluorophenyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide

C20H13F2N3OS — CID 55382604

IUPAC(E)-3-(3-fluorophenyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(F)c1)Nc1c(-c2ccc(F)cc2)nc2sccn12
InChIInChI=1S/C20H13F2N3OS/c21-15-7-5-14(6-8-15)18-19(25-10-11-27-20(25)24-18)23-17(26)9-4-13-2-1-3-16(22)12-13/h1-12H,(H,23,26)/b9-4+
InChIKeyHUPWLHZZOKDKFP-RUDMXATFSA-N
MW381.41 g/mol
LogP4.99
Rot. Bonds4

About (E)-3-(3-fluorophenyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide

(E)-3-(3-fluorophenyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide (PubChem CID 55382604) has the molecular formula C20H13F2N3OS and a molecular weight of 381.41 g/mol. Its IUPAC name is (E)-3-(3-fluorophenyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-fluorophenyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide
PubChem CID55382604
Molecular FormulaC20H13F2N3OS
Molecular Weight381.41 g/mol
Exact Mass381.07
IUPAC Name(E)-3-(3-fluorophenyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(F)c1)Nc1c(-c2ccc(F)cc2)nc2sccn12
InChIInChI=1S/C20H13F2N3OS/c21-15-7-5-14(6-8-15)18-19(25-10-11-27-20(25)24-18)23-17(26)9-4-13-2-1-3-16(22)12-13/h1-12H,(H,23,26)/b9-4+
InChIKeyHUPWLHZZOKDKFP-RUDMXATFSA-N
XLogP4.99
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 54.99
H-Bond Donors ≤ 51
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)-3-(3-fluorophenyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide?
The IUPAC name of (E)-3-(3-fluorophenyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide (CID 55382604) is (E)-3-(3-fluorophenyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-fluorophenyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-fluorophenyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide is O=C(/C=C/c1cccc(F)c1)Nc1c(-c2ccc(F)cc2)nc2sccn12.
What is the InChIKey of (E)-3-(3-fluorophenyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide?
The InChIKey is HUPWLHZZOKDKFP-RUDMXATFSA-N. The full InChI is InChI=1S/C20H13F2N3OS/c21-15-7-5-14(6-8-15)18-19(25-10-11-27-20(25)24-18)23-17(26)9-4-13-2-1-3-16(22)12-13/h1-12H,(H,23,26)/b9-4+.
What are the key properties of (E)-3-(3-fluorophenyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide?
(E)-3-(3-fluorophenyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide has a molecular weight of 381.41 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-fluorophenyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide is sourced from PubChem (CID 55382604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).