3-(1,3-thiazol-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]piperazine-2,5-dione

C15H12F3N3O2S — CID 166263402

IUPAC3-(1,3-thiazol-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]piperazine-2,5-dione
SMILESO=C1NC(c2cccc(C(F)(F)F)c2)C(=O)NC1Cc1nccs1
InChIInChI=1S/C15H12F3N3O2S/c16-15(17,18)9-3-1-2-8(6-9)12-14(23)20-10(13(22)21-12)7-11-19-4-5-24-11/h1-6,10,12H,7H2,(H,20,23)(H,21,22)
InChIKeyBUVNUTZIRBXIMQ-UHFFFAOYSA-N
MW355.34 g/mol
LogP2.06
Rot. Bonds3

About 3-(1,3-thiazol-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]piperazine-2,5-dione

3-(1,3-thiazol-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]piperazine-2,5-dione (PubChem CID 166263402) has the molecular formula C15H12F3N3O2S and a molecular weight of 355.34 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-(1,3-thiazol-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]piperazine-2,5-dione
PubChem CID166263402
Molecular FormulaC15H12F3N3O2S
Molecular Weight355.34 g/mol
Exact Mass355.06
IUPAC Name3-(1,3-thiazol-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]piperazine-2,5-dione
SMILESO=C1NC(c2cccc(C(F)(F)F)c2)C(=O)NC1Cc1nccs1
InChIInChI=1S/C15H12F3N3O2S/c16-15(17,18)9-3-1-2-8(6-9)12-14(23)20-10(13(22)21-12)7-11-19-4-5-24-11/h1-6,10,12H,7H2,(H,20,23)(H,21,22)
InChIKeyBUVNUTZIRBXIMQ-UHFFFAOYSA-N
XLogP2.06
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]piperazine-2,5-dione?
The IUPAC name of 3-(1,3-thiazol-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]piperazine-2,5-dione (CID 166263402) is 3-(1,3-thiazol-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]piperazine-2,5-dione.
What is the SMILES notation for 3-(1,3-thiazol-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]piperazine-2,5-dione?
The canonical SMILES for 3-(1,3-thiazol-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]piperazine-2,5-dione is O=C1NC(c2cccc(C(F)(F)F)c2)C(=O)NC1Cc1nccs1.
What is the InChIKey of 3-(1,3-thiazol-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]piperazine-2,5-dione?
The InChIKey is BUVNUTZIRBXIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O2S/c16-15(17,18)9-3-1-2-8(6-9)12-14(23)20-10(13(22)21-12)7-11-19-4-5-24-11/h1-6,10,12H,7H2,(H,20,23)(H,21,22).
What are the key properties of 3-(1,3-thiazol-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]piperazine-2,5-dione?
3-(1,3-thiazol-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]piperazine-2,5-dione has a molecular weight of 355.34 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]piperazine-2,5-dione is sourced from PubChem (CID 166263402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).