5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine

C10H15F3N4S — CID 113225406

IUPAC5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCN(CC(F)(F)F)CC2)s1
InChIInChI=1S/C10H15F3N4S/c11-10(12,13)7-17-3-1-16(2-4-17)6-8-5-15-9(14)18-8/h5H,1-4,6-7H2,(H2,14,15)
InChIKeyUGLSKMSFEDGFIF-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.41
Rot. Bonds3

About 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine

5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 113225406) has the molecular formula C10H15F3N4S and a molecular weight of 280.32 g/mol. Its IUPAC name is 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID113225406
Molecular FormulaC10H15F3N4S
Molecular Weight280.32 g/mol
Exact Mass280.10
IUPAC Name5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCN(CC(F)(F)F)CC2)s1
InChIInChI=1S/C10H15F3N4S/c11-10(12,13)7-17-3-1-16(2-4-17)6-8-5-15-9(14)18-8/h5H,1-4,6-7H2,(H2,14,15)
InChIKeyUGLSKMSFEDGFIF-UHFFFAOYSA-N
XLogP1.41
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine (CID 113225406) is 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine is Nc1ncc(CN2CCN(CC(F)(F)F)CC2)s1.
What is the InChIKey of 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is UGLSKMSFEDGFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4S/c11-10(12,13)7-17-3-1-16(2-4-17)6-8-5-15-9(14)18-8/h5H,1-4,6-7H2,(H2,14,15).
What are the key properties of 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine?
5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 280.32 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 113225406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).