[1-(2-aminoethyl)imidazol-4-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

C10H9F3N4OS — CID 107501408

IUPAC[1-(2-aminoethyl)imidazol-4-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESNCCn1cnc(C(=O)c2cnc(C(F)(F)F)s2)c1
InChIInChI=1S/C10H9F3N4OS/c11-10(12,13)9-15-3-7(19-9)8(18)6-4-17(2-1-14)5-16-6/h3-5H,1-2,14H2
InChIKeyQDJIFAPZLVRUAV-UHFFFAOYSA-N
MW290.27 g/mol
LogP1.55
Rot. Bonds4

About [1-(2-aminoethyl)imidazol-4-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

[1-(2-aminoethyl)imidazol-4-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 107501408) has the molecular formula C10H9F3N4OS and a molecular weight of 290.27 g/mol. Its IUPAC name is [1-(2-aminoethyl)imidazol-4-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name[1-(2-aminoethyl)imidazol-4-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID107501408
Molecular FormulaC10H9F3N4OS
Molecular Weight290.27 g/mol
Exact Mass290.04
IUPAC Name[1-(2-aminoethyl)imidazol-4-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESNCCn1cnc(C(=O)c2cnc(C(F)(F)F)s2)c1
InChIInChI=1S/C10H9F3N4OS/c11-10(12,13)9-15-3-7(19-9)8(18)6-4-17(2-1-14)5-16-6/h3-5H,1-2,14H2
InChIKeyQDJIFAPZLVRUAV-UHFFFAOYSA-N
XLogP1.55
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(2-aminoethyl)imidazol-4-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of [1-(2-aminoethyl)imidazol-4-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 107501408) is [1-(2-aminoethyl)imidazol-4-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for [1-(2-aminoethyl)imidazol-4-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for [1-(2-aminoethyl)imidazol-4-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is NCCn1cnc(C(=O)c2cnc(C(F)(F)F)s2)c1.
What is the InChIKey of [1-(2-aminoethyl)imidazol-4-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is QDJIFAPZLVRUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4OS/c11-10(12,13)9-15-3-7(19-9)8(18)6-4-17(2-1-14)5-16-6/h3-5H,1-2,14H2.
What are the key properties of [1-(2-aminoethyl)imidazol-4-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
[1-(2-aminoethyl)imidazol-4-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 290.27 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminoethyl)imidazol-4-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 107501408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).