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

C10H7ClF3N3OS — CID 47099152

IUPAC(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
SMILESO=C(/C=C/c1c(Cl)nc2sccn12)NCC(F)(F)F
InChIInChI=1S/C10H7ClF3N3OS/c11-8-6(17-3-4-19-9(17)16-8)1-2-7(18)15-5-10(12,13)14/h1-4H,5H2,(H,15,18)/b2-1+
InChIKeyZCIJPMGXBDADJZ-OWOJBTEDSA-N
MW309.70 g/mol
LogP2.74
Rot. Bonds3

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

(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide (PubChem CID 47099152) has the molecular formula C10H7ClF3N3OS and a molecular weight of 309.70 g/mol. Its IUPAC name is (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
PubChem CID47099152
Molecular FormulaC10H7ClF3N3OS
Molecular Weight309.70 g/mol
Exact Mass309.00
IUPAC Name(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
SMILESO=C(/C=C/c1c(Cl)nc2sccn12)NCC(F)(F)F
InChIInChI=1S/C10H7ClF3N3OS/c11-8-6(17-3-4-19-9(17)16-8)1-2-7(18)15-5-10(12,13)14/h1-4H,5H2,(H,15,18)/b2-1+
InChIKeyZCIJPMGXBDADJZ-OWOJBTEDSA-N
XLogP2.74
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.70
LogP ≤ 52.74
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-(2,2,2-trifluoroethyl)prop-2-enamide?
The IUPAC name of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide (CID 47099152) is (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide is O=C(/C=C/c1c(Cl)nc2sccn12)NCC(F)(F)F.
What is the InChIKey of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide?
The InChIKey is ZCIJPMGXBDADJZ-OWOJBTEDSA-N. The full InChI is InChI=1S/C10H7ClF3N3OS/c11-8-6(17-3-4-19-9(17)16-8)1-2-7(18)15-5-10(12,13)14/h1-4H,5H2,(H,15,18)/b2-1+.
What are the key properties of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide?
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide has a molecular weight of 309.70 g/mol, XLogP of 2.74, 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-(2,2,2-trifluoroethyl)prop-2-enamide is sourced from PubChem (CID 47099152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).