(E)-3-[6-[methyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid

C11H10F3N3O2S — CID 60891596

IUPAC(E)-3-[6-[methyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
SMILESCN(CC(F)(F)F)c1nc2sccn2c1/C=C/C(=O)O
InChIInChI=1S/C11H10F3N3O2S/c1-16(6-11(12,13)14)9-7(2-3-8(18)19)17-4-5-20-10(17)15-9/h2-5H,6H2,1H3,(H,18,19)/b3-2+
InChIKeyFWNFEJJKWULBOA-NSCUHMNNSA-N
MW305.28 g/mol
LogP2.49
Rot. Bonds4

About (E)-3-[6-[methyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid

(E)-3-[6-[methyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid (PubChem CID 60891596) has the molecular formula C11H10F3N3O2S and a molecular weight of 305.28 g/mol. Its IUPAC name is (E)-3-[6-[methyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[6-[methyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
PubChem CID60891596
Molecular FormulaC11H10F3N3O2S
Molecular Weight305.28 g/mol
Exact Mass305.04
IUPAC Name(E)-3-[6-[methyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
SMILESCN(CC(F)(F)F)c1nc2sccn2c1/C=C/C(=O)O
InChIInChI=1S/C11H10F3N3O2S/c1-16(6-11(12,13)14)9-7(2-3-8(18)19)17-4-5-20-10(17)15-9/h2-5H,6H2,1H3,(H,18,19)/b3-2+
InChIKeyFWNFEJJKWULBOA-NSCUHMNNSA-N
XLogP2.49
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-3-[6-[methyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid 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)-3-[6-[methyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid?
The IUPAC name of (E)-3-[6-[methyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid (CID 60891596) is (E)-3-[6-[methyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[6-[methyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[6-[methyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid is CN(CC(F)(F)F)c1nc2sccn2c1/C=C/C(=O)O.
What is the InChIKey of (E)-3-[6-[methyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid?
The InChIKey is FWNFEJJKWULBOA-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H10F3N3O2S/c1-16(6-11(12,13)14)9-7(2-3-8(18)19)17-4-5-20-10(17)15-9/h2-5H,6H2,1H3,(H,18,19)/b3-2+.
What are the key properties of (E)-3-[6-[methyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid?
(E)-3-[6-[methyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid has a molecular weight of 305.28 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[6-[methyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid is sourced from PubChem (CID 60891596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).