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

C9H7F3N4S — CID 169168158

IUPAC4-[(E)-2-[1-(trifluoromethyl)imidazol-4-yl]ethenyl]-1,3-thiazol-2-amine
SMILESNc1nc(/C=C/c2cn(C(F)(F)F)cn2)cs1
InChIInChI=1S/C9H7F3N4S/c10-9(11,12)16-3-6(14-5-16)1-2-7-4-17-8(13)15-7/h1-5H,(H2,13,15)/b2-1+
InChIKeyRLZRWAYVKXWGJX-OWOJBTEDSA-N
MW260.24 g/mol
LogP2.57
Rot. Bonds2

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

4-[(E)-2-[1-(trifluoromethyl)imidazol-4-yl]ethenyl]-1,3-thiazol-2-amine (PubChem CID 169168158) has the molecular formula C9H7F3N4S and a molecular weight of 260.24 g/mol. Its IUPAC name is 4-[(E)-2-[1-(trifluoromethyl)imidazol-4-yl]ethenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(E)-2-[1-(trifluoromethyl)imidazol-4-yl]ethenyl]-1,3-thiazol-2-amine
PubChem CID169168158
Molecular FormulaC9H7F3N4S
Molecular Weight260.24 g/mol
Exact Mass260.03
IUPAC Name4-[(E)-2-[1-(trifluoromethyl)imidazol-4-yl]ethenyl]-1,3-thiazol-2-amine
SMILESNc1nc(/C=C/c2cn(C(F)(F)F)cn2)cs1
InChIInChI=1S/C9H7F3N4S/c10-9(11,12)16-3-6(14-5-16)1-2-7-4-17-8(13)15-7/h1-5H,(H2,13,15)/b2-1+
InChIKeyRLZRWAYVKXWGJX-OWOJBTEDSA-N
XLogP2.57
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 52.57
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-(trifluoromethyl)imidazol-4-yl]ethenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(E)-2-[1-(trifluoromethyl)imidazol-4-yl]ethenyl]-1,3-thiazol-2-amine (CID 169168158) is 4-[(E)-2-[1-(trifluoromethyl)imidazol-4-yl]ethenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(E)-2-[1-(trifluoromethyl)imidazol-4-yl]ethenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(E)-2-[1-(trifluoromethyl)imidazol-4-yl]ethenyl]-1,3-thiazol-2-amine is Nc1nc(/C=C/c2cn(C(F)(F)F)cn2)cs1.
What is the InChIKey of 4-[(E)-2-[1-(trifluoromethyl)imidazol-4-yl]ethenyl]-1,3-thiazol-2-amine?
The InChIKey is RLZRWAYVKXWGJX-OWOJBTEDSA-N. The full InChI is InChI=1S/C9H7F3N4S/c10-9(11,12)16-3-6(14-5-16)1-2-7-4-17-8(13)15-7/h1-5H,(H2,13,15)/b2-1+.
What are the key properties of 4-[(E)-2-[1-(trifluoromethyl)imidazol-4-yl]ethenyl]-1,3-thiazol-2-amine?
4-[(E)-2-[1-(trifluoromethyl)imidazol-4-yl]ethenyl]-1,3-thiazol-2-amine has a molecular weight of 260.24 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[1-(trifluoromethyl)imidazol-4-yl]ethenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 169168158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).