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

C10H7ClF3N3O2S — CID 81340429

IUPAC(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2,2,2-trifluoroethoxy)prop-2-enamide
SMILESO=C(/C=C/c1c(Cl)nc2sccn12)NOCC(F)(F)F
InChIInChI=1S/C10H7ClF3N3O2S/c11-8-6(17-3-4-20-9(17)15-8)1-2-7(18)16-19-5-10(12,13)14/h1-4H,5H2,(H,16,18)/b2-1+
InChIKeyGDJNBHFGEXJYLF-OWOJBTEDSA-N
MW325.70 g/mol
LogP2.67
Rot. Bonds4

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

(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2,2,2-trifluoroethoxy)prop-2-enamide (PubChem CID 81340429) has the molecular formula C10H7ClF3N3O2S and a molecular weight of 325.70 g/mol. Its IUPAC name is (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2,2,2-trifluoroethoxy)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2,2,2-trifluoroethoxy)prop-2-enamide
PubChem CID81340429
Molecular FormulaC10H7ClF3N3O2S
Molecular Weight325.70 g/mol
Exact Mass324.99
IUPAC Name(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2,2,2-trifluoroethoxy)prop-2-enamide
SMILESO=C(/C=C/c1c(Cl)nc2sccn12)NOCC(F)(F)F
InChIInChI=1S/C10H7ClF3N3O2S/c11-8-6(17-3-4-20-9(17)15-8)1-2-7(18)16-19-5-10(12,13)14/h1-4H,5H2,(H,16,18)/b2-1+
InChIKeyGDJNBHFGEXJYLF-OWOJBTEDSA-N
XLogP2.67
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.70
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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-trifluoroethoxy)prop-2-enamide?
The IUPAC name of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2,2,2-trifluoroethoxy)prop-2-enamide (CID 81340429) is (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2,2,2-trifluoroethoxy)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-trifluoroethoxy)prop-2-enamide?
The canonical SMILES for (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2,2,2-trifluoroethoxy)prop-2-enamide is O=C(/C=C/c1c(Cl)nc2sccn12)NOCC(F)(F)F.
What is the InChIKey of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2,2,2-trifluoroethoxy)prop-2-enamide?
The InChIKey is GDJNBHFGEXJYLF-OWOJBTEDSA-N. The full InChI is InChI=1S/C10H7ClF3N3O2S/c11-8-6(17-3-4-20-9(17)15-8)1-2-7(18)16-19-5-10(12,13)14/h1-4H,5H2,(H,16,18)/b2-1+.
What are the key properties of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2,2,2-trifluoroethoxy)prop-2-enamide?
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2,2,2-trifluoroethoxy)prop-2-enamide has a molecular weight of 325.70 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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-trifluoroethoxy)prop-2-enamide is sourced from PubChem (CID 81340429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).