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

C15H14F3N3OS — CID 45487394

IUPAC[4-(1,3-thiazol-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)N1CCN(c2nccs2)CC1
InChIInChI=1S/C15H14F3N3OS/c16-15(17,18)12-4-2-1-3-11(12)13(22)20-6-8-21(9-7-20)14-19-5-10-23-14/h1-5,10H,6-9H2
InChIKeyGEQZFSCFWGCHOX-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.12
Rot. Bonds2

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

[4-(1,3-thiazol-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 45487394) has the molecular formula C15H14F3N3OS and a molecular weight of 341.36 g/mol. Its IUPAC name is [4-(1,3-thiazol-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(1,3-thiazol-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
PubChem CID45487394
Molecular FormulaC15H14F3N3OS
Molecular Weight341.36 g/mol
Exact Mass341.08
IUPAC Name[4-(1,3-thiazol-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)N1CCN(c2nccs2)CC1
InChIInChI=1S/C15H14F3N3OS/c16-15(17,18)12-4-2-1-3-11(12)13(22)20-6-8-21(9-7-20)14-19-5-10-23-14/h1-5,10H,6-9H2
InChIKeyGEQZFSCFWGCHOX-UHFFFAOYSA-N
XLogP3.12
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(1,3-thiazol-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-(1,3-thiazol-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (CID 45487394) is [4-(1,3-thiazol-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-(1,3-thiazol-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-(1,3-thiazol-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is O=C(c1ccccc1C(F)(F)F)N1CCN(c2nccs2)CC1.
What is the InChIKey of [4-(1,3-thiazol-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is GEQZFSCFWGCHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3OS/c16-15(17,18)12-4-2-1-3-11(12)13(22)20-6-8-21(9-7-20)14-19-5-10-23-14/h1-5,10H,6-9H2.
What are the key properties of [4-(1,3-thiazol-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
[4-(1,3-thiazol-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 341.36 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-thiazol-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 45487394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).