[2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl acetate

C10H8F3N3O2S — CID 174460086

IUPAC[2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl acetate
SMILESCC(=O)OCn1cc(C(F)(F)F)nc1-c1nccs1
InChIInChI=1S/C10H8F3N3O2S/c1-6(17)18-5-16-4-7(10(11,12)13)15-8(16)9-14-2-3-19-9/h2-4H,5H2,1H3
InChIKeyPWORTFBGWMDLDS-UHFFFAOYSA-N
MW291.25 g/mol
LogP2.55
Rot. Bonds3

About [2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl acetate

[2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl acetate (PubChem CID 174460086) has the molecular formula C10H8F3N3O2S and a molecular weight of 291.25 g/mol. Its IUPAC name is [2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl acetate.

Molecular Properties

Compound Name[2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl acetate
PubChem CID174460086
Molecular FormulaC10H8F3N3O2S
Molecular Weight291.25 g/mol
Exact Mass291.03
IUPAC Name[2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl acetate
SMILESCC(=O)OCn1cc(C(F)(F)F)nc1-c1nccs1
InChIInChI=1S/C10H8F3N3O2S/c1-6(17)18-5-16-4-7(10(11,12)13)15-8(16)9-14-2-3-19-9/h2-4H,5H2,1H3
InChIKeyPWORTFBGWMDLDS-UHFFFAOYSA-N
XLogP2.55
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl acetate?
The IUPAC name of [2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl acetate (CID 174460086) is [2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl acetate.
What is the SMILES notation for [2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl acetate?
The canonical SMILES for [2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl acetate is CC(=O)OCn1cc(C(F)(F)F)nc1-c1nccs1.
What is the InChIKey of [2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl acetate?
The InChIKey is PWORTFBGWMDLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2S/c1-6(17)18-5-16-4-7(10(11,12)13)15-8(16)9-14-2-3-19-9/h2-4H,5H2,1H3.
What are the key properties of [2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl acetate?
[2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl acetate has a molecular weight of 291.25 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl acetate is sourced from PubChem (CID 174460086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).