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

C14H8Cl2FN3OS — CID 36681573

IUPAC(E)-N-(4-chloro-2-fluorophenyl)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
SMILESO=C(/C=C/c1c(Cl)nc2sccn12)Nc1ccc(Cl)cc1F
InChIInChI=1S/C14H8Cl2FN3OS/c15-8-1-2-10(9(17)7-8)18-12(21)4-3-11-13(16)19-14-20(11)5-6-22-14/h1-7H,(H,18,21)/b4-3+
InChIKeyFYHIMPWMDUFDGI-ONEGZZNKSA-N
MW356.21 g/mol
LogP4.49
Rot. Bonds3

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

(E)-N-(4-chloro-2-fluorophenyl)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide (PubChem CID 36681573) has the molecular formula C14H8Cl2FN3OS and a molecular weight of 356.21 g/mol. Its IUPAC name is (E)-N-(4-chloro-2-fluorophenyl)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-chloro-2-fluorophenyl)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
PubChem CID36681573
Molecular FormulaC14H8Cl2FN3OS
Molecular Weight356.21 g/mol
Exact Mass354.97
IUPAC Name(E)-N-(4-chloro-2-fluorophenyl)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
SMILESO=C(/C=C/c1c(Cl)nc2sccn12)Nc1ccc(Cl)cc1F
InChIInChI=1S/C14H8Cl2FN3OS/c15-8-1-2-10(9(17)7-8)18-12(21)4-3-11-13(16)19-14-20(11)5-6-22-14/h1-7H,(H,18,21)/b4-3+
InChIKeyFYHIMPWMDUFDGI-ONEGZZNKSA-N
XLogP4.49
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-chloro-2-fluorophenyl)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide?
The IUPAC name of (E)-N-(4-chloro-2-fluorophenyl)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide (CID 36681573) is (E)-N-(4-chloro-2-fluorophenyl)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-chloro-2-fluorophenyl)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-chloro-2-fluorophenyl)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide is O=C(/C=C/c1c(Cl)nc2sccn12)Nc1ccc(Cl)cc1F.
What is the InChIKey of (E)-N-(4-chloro-2-fluorophenyl)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide?
The InChIKey is FYHIMPWMDUFDGI-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H8Cl2FN3OS/c15-8-1-2-10(9(17)7-8)18-12(21)4-3-11-13(16)19-14-20(11)5-6-22-14/h1-7H,(H,18,21)/b4-3+.
What are the key properties of (E)-N-(4-chloro-2-fluorophenyl)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide?
(E)-N-(4-chloro-2-fluorophenyl)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide has a molecular weight of 356.21 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-chloro-2-fluorophenyl)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide is sourced from PubChem (CID 36681573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).