1-[4-[4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone

C16H16F3N3OS — CID 126758636

IUPAC1-[4-[4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(-c3ccccc3C(F)(F)F)cs2)CC1
InChIInChI=1S/C16H16F3N3OS/c1-11(23)21-6-8-22(9-7-21)15-20-14(10-24-15)12-4-2-3-5-13(12)16(17,18)19/h2-5,10H,6-9H2,1H3
InChIKeyKOGMKAOVAXLBTF-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.50
Rot. Bonds2

About 1-[4-[4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone

1-[4-[4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone (PubChem CID 126758636) has the molecular formula C16H16F3N3OS and a molecular weight of 355.39 g/mol. Its IUPAC name is 1-[4-[4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
PubChem CID126758636
Molecular FormulaC16H16F3N3OS
Molecular Weight355.39 g/mol
Exact Mass355.10
IUPAC Name1-[4-[4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(-c3ccccc3C(F)(F)F)cs2)CC1
InChIInChI=1S/C16H16F3N3OS/c1-11(23)21-6-8-22(9-7-21)15-20-14(10-24-15)12-4-2-3-5-13(12)16(17,18)19/h2-5,10H,6-9H2,1H3
InChIKeyKOGMKAOVAXLBTF-UHFFFAOYSA-N
XLogP3.50
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone (CID 126758636) is 1-[4-[4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nc(-c3ccccc3C(F)(F)F)cs2)CC1.
What is the InChIKey of 1-[4-[4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone?
The InChIKey is KOGMKAOVAXLBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3OS/c1-11(23)21-6-8-22(9-7-21)15-20-14(10-24-15)12-4-2-3-5-13(12)16(17,18)19/h2-5,10H,6-9H2,1H3.
What are the key properties of 1-[4-[4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone?
1-[4-[4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone has a molecular weight of 355.39 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 126758636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).