4-[(E)-2-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]ethenyl]-1,3-thiazol-2-amine

C10H9F3N4S — CID 169049376

IUPAC4-[(E)-2-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]ethenyl]-1,3-thiazol-2-amine
SMILESNc1nc(/C=C/c2cn(CC(F)(F)F)cn2)cs1
InChIInChI=1S/C10H9F3N4S/c11-10(12,13)5-17-3-7(15-6-17)1-2-8-4-18-9(14)16-8/h1-4,6H,5H2,(H2,14,16)/b2-1+
InChIKeyJZHZWXNHUDBFSJ-OWOJBTEDSA-N
MW274.27 g/mol
LogP2.65
Rot. Bonds3

About 4-[(E)-2-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]ethenyl]-1,3-thiazol-2-amine

4-[(E)-2-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]ethenyl]-1,3-thiazol-2-amine (PubChem CID 169049376) has the molecular formula C10H9F3N4S and a molecular weight of 274.27 g/mol. Its IUPAC name is 4-[(E)-2-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]ethenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(E)-2-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]ethenyl]-1,3-thiazol-2-amine
PubChem CID169049376
Molecular FormulaC10H9F3N4S
Molecular Weight274.27 g/mol
Exact Mass274.05
IUPAC Name4-[(E)-2-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]ethenyl]-1,3-thiazol-2-amine
SMILESNc1nc(/C=C/c2cn(CC(F)(F)F)cn2)cs1
InChIInChI=1S/C10H9F3N4S/c11-10(12,13)5-17-3-7(15-6-17)1-2-8-4-18-9(14)16-8/h1-4,6H,5H2,(H2,14,16)/b2-1+
InChIKeyJZHZWXNHUDBFSJ-OWOJBTEDSA-N
XLogP2.65
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]ethenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(E)-2-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]ethenyl]-1,3-thiazol-2-amine (CID 169049376) is 4-[(E)-2-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]ethenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(E)-2-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]ethenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(E)-2-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]ethenyl]-1,3-thiazol-2-amine is Nc1nc(/C=C/c2cn(CC(F)(F)F)cn2)cs1.
What is the InChIKey of 4-[(E)-2-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]ethenyl]-1,3-thiazol-2-amine?
The InChIKey is JZHZWXNHUDBFSJ-OWOJBTEDSA-N. The full InChI is InChI=1S/C10H9F3N4S/c11-10(12,13)5-17-3-7(15-6-17)1-2-8-4-18-9(14)16-8/h1-4,6H,5H2,(H2,14,16)/b2-1+.
What are the key properties of 4-[(E)-2-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]ethenyl]-1,3-thiazol-2-amine?
4-[(E)-2-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]ethenyl]-1,3-thiazol-2-amine has a molecular weight of 274.27 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]ethenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 169049376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).