piperazin-1-yl(1,3-thiazol-2-yl)methanone;2,2,2-trifluoroacetic acid

C10H12F3N3O3S — CID 66771808

IUPACpiperazin-1-yl(1,3-thiazol-2-yl)methanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1nccs1)N1CCNCC1
InChIInChI=1S/C8H11N3OS.C2HF3O2/c12-8(7-10-3-6-13-7)11-4-1-9-2-5-11;3-2(4,5)1(6)7/h3,6,9H,1-2,4-5H2;(H,6,7)
InChIKeyBZBBOLNPHYIWBD-UHFFFAOYSA-N
MW311.29 g/mol
LogP0.82
Rot. Bonds1

About piperazin-1-yl(1,3-thiazol-2-yl)methanone;2,2,2-trifluoroacetic acid

piperazin-1-yl(1,3-thiazol-2-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 66771808) has the molecular formula C10H12F3N3O3S and a molecular weight of 311.29 g/mol. Its IUPAC name is piperazin-1-yl(1,3-thiazol-2-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namepiperazin-1-yl(1,3-thiazol-2-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID66771808
Molecular FormulaC10H12F3N3O3S
Molecular Weight311.29 g/mol
Exact Mass311.06
IUPAC Namepiperazin-1-yl(1,3-thiazol-2-yl)methanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1nccs1)N1CCNCC1
InChIInChI=1S/C8H11N3OS.C2HF3O2/c12-8(7-10-3-6-13-7)11-4-1-9-2-5-11;3-2(4,5)1(6)7/h3,6,9H,1-2,4-5H2;(H,6,7)
InChIKeyBZBBOLNPHYIWBD-UHFFFAOYSA-N
XLogP0.82
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl(1,3-thiazol-2-yl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of piperazin-1-yl(1,3-thiazol-2-yl)methanone;2,2,2-trifluoroacetic acid (CID 66771808) is piperazin-1-yl(1,3-thiazol-2-yl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for piperazin-1-yl(1,3-thiazol-2-yl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for piperazin-1-yl(1,3-thiazol-2-yl)methanone;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(c1nccs1)N1CCNCC1.
What is the InChIKey of piperazin-1-yl(1,3-thiazol-2-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is BZBBOLNPHYIWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS.C2HF3O2/c12-8(7-10-3-6-13-7)11-4-1-9-2-5-11;3-2(4,5)1(6)7/h3,6,9H,1-2,4-5H2;(H,6,7).
What are the key properties of piperazin-1-yl(1,3-thiazol-2-yl)methanone;2,2,2-trifluoroacetic acid?
piperazin-1-yl(1,3-thiazol-2-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 311.29 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl(1,3-thiazol-2-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 66771808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).