2,2,2-trifluoroethyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate

C10H12F3N3O2S — CID 65173483

IUPAC2,2,2-trifluoroethyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate
SMILESO=C(OCC(F)(F)F)N1CCN(c2nccs2)CC1
InChIInChI=1S/C10H12F3N3O2S/c11-10(12,13)7-18-9(17)16-4-2-15(3-5-16)8-14-1-6-19-8/h1,6H,2-5,7H2
InChIKeyQFPVJCKIMQTLMY-UHFFFAOYSA-N
MW295.29 g/mol
LogP1.96
Rot. Bonds2

About 2,2,2-trifluoroethyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate

2,2,2-trifluoroethyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate (PubChem CID 65173483) has the molecular formula C10H12F3N3O2S and a molecular weight of 295.29 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate
PubChem CID65173483
Molecular FormulaC10H12F3N3O2S
Molecular Weight295.29 g/mol
Exact Mass295.06
IUPAC Name2,2,2-trifluoroethyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate
SMILESO=C(OCC(F)(F)F)N1CCN(c2nccs2)CC1
InChIInChI=1S/C10H12F3N3O2S/c11-10(12,13)7-18-9(17)16-4-2-15(3-5-16)8-14-1-6-19-8/h1,6H,2-5,7H2
InChIKeyQFPVJCKIMQTLMY-UHFFFAOYSA-N
XLogP1.96
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate (CID 65173483) is 2,2,2-trifluoroethyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate is O=C(OCC(F)(F)F)N1CCN(c2nccs2)CC1.
What is the InChIKey of 2,2,2-trifluoroethyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate?
The InChIKey is QFPVJCKIMQTLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2S/c11-10(12,13)7-18-9(17)16-4-2-15(3-5-16)8-14-1-6-19-8/h1,6H,2-5,7H2.
What are the key properties of 2,2,2-trifluoroethyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate?
2,2,2-trifluoroethyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate has a molecular weight of 295.29 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 65173483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).