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

C14H9ClFN3OS — CID 2348707

IUPAC(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(4-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1c(Cl)nc2sccn12)Nc1ccc(F)cc1
InChIInChI=1S/C14H9ClFN3OS/c15-13-11(19-7-8-21-14(19)18-13)5-6-12(20)17-10-3-1-9(16)2-4-10/h1-8H,(H,17,20)/b6-5+
InChIKeyLKCQZAPXCCELSP-AATRIKPKSA-N
MW321.76 g/mol
LogP3.84
Rot. Bonds3

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

(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(4-fluorophenyl)prop-2-enamide (PubChem CID 2348707) has the molecular formula C14H9ClFN3OS and a molecular weight of 321.76 g/mol. Its IUPAC name is (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(4-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(4-fluorophenyl)prop-2-enamide
PubChem CID2348707
Molecular FormulaC14H9ClFN3OS
Molecular Weight321.76 g/mol
Exact Mass321.01
IUPAC Name(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(4-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1c(Cl)nc2sccn12)Nc1ccc(F)cc1
InChIInChI=1S/C14H9ClFN3OS/c15-13-11(19-7-8-21-14(19)18-13)5-6-12(20)17-10-3-1-9(16)2-4-10/h1-8H,(H,17,20)/b6-5+
InChIKeyLKCQZAPXCCELSP-AATRIKPKSA-N
XLogP3.84
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 53.84
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-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(4-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(4-fluorophenyl)prop-2-enamide (CID 2348707) is (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(4-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(4-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(4-fluorophenyl)prop-2-enamide is O=C(/C=C/c1c(Cl)nc2sccn12)Nc1ccc(F)cc1.
What is the InChIKey of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(4-fluorophenyl)prop-2-enamide?
The InChIKey is LKCQZAPXCCELSP-AATRIKPKSA-N. The full InChI is InChI=1S/C14H9ClFN3OS/c15-13-11(19-7-8-21-14(19)18-13)5-6-12(20)17-10-3-1-9(16)2-4-10/h1-8H,(H,17,20)/b6-5+.
What are the key properties of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(4-fluorophenyl)prop-2-enamide?
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(4-fluorophenyl)prop-2-enamide has a molecular weight of 321.76 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(4-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 2348707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).