4-[5-(2,2,2-trifluoroethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid

C10H12F3N3O2S — CID 21100263

IUPAC4-[5-(2,2,2-trifluoroethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2ncc(CC(F)(F)F)s2)CC1
InChIInChI=1S/C10H12F3N3O2S/c11-10(12,13)5-7-6-14-8(19-7)15-1-3-16(4-2-15)9(17)18/h6H,1-5H2,(H,17,18)
InChIKeyCYHDRFCOYIADSW-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.05
Rot. Bonds2

About 4-[5-(2,2,2-trifluoroethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid

4-[5-(2,2,2-trifluoroethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid (PubChem CID 21100263) has the molecular formula C10H12F3N3O2S and a molecular weight of 295.29 g/mol. Its IUPAC name is 4-[5-(2,2,2-trifluoroethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[5-(2,2,2-trifluoroethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid
PubChem CID21100263
Molecular FormulaC10H12F3N3O2S
Molecular Weight295.29 g/mol
Exact Mass295.06
IUPAC Name4-[5-(2,2,2-trifluoroethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2ncc(CC(F)(F)F)s2)CC1
InChIInChI=1S/C10H12F3N3O2S/c11-10(12,13)5-7-6-14-8(19-7)15-1-3-16(4-2-15)9(17)18/h6H,1-5H2,(H,17,18)
InChIKeyCYHDRFCOYIADSW-UHFFFAOYSA-N
XLogP2.05
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,2,2-trifluoroethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[5-(2,2,2-trifluoroethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid (CID 21100263) is 4-[5-(2,2,2-trifluoroethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[5-(2,2,2-trifluoroethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[5-(2,2,2-trifluoroethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid is O=C(O)N1CCN(c2ncc(CC(F)(F)F)s2)CC1.
What is the InChIKey of 4-[5-(2,2,2-trifluoroethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid?
The InChIKey is CYHDRFCOYIADSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2S/c11-10(12,13)5-7-6-14-8(19-7)15-1-3-16(4-2-15)9(17)18/h6H,1-5H2,(H,17,18).
What are the key properties of 4-[5-(2,2,2-trifluoroethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid?
4-[5-(2,2,2-trifluoroethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid has a molecular weight of 295.29 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,2,2-trifluoroethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid is sourced from PubChem (CID 21100263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).