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

C11H17F3N4S — CID 62967066

IUPAC[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(CN2CCN(CC(F)(F)F)CC2)cs1
InChIInChI=1S/C11H17F3N4S/c12-11(13,14)8-18-3-1-17(2-4-18)6-9-7-19-10(5-15)16-9/h7H,1-6,8,15H2
InChIKeySCPNNGLZKAZKPZ-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.28
Rot. Bonds4

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

[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine (PubChem CID 62967066) has the molecular formula C11H17F3N4S and a molecular weight of 294.35 g/mol. Its IUPAC name is [4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine
PubChem CID62967066
Molecular FormulaC11H17F3N4S
Molecular Weight294.35 g/mol
Exact Mass294.11
IUPAC Name[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(CN2CCN(CC(F)(F)F)CC2)cs1
InChIInChI=1S/C11H17F3N4S/c12-11(13,14)8-18-3-1-17(2-4-18)6-9-7-19-10(5-15)16-9/h7H,1-6,8,15H2
InChIKeySCPNNGLZKAZKPZ-UHFFFAOYSA-N
XLogP1.28
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine (CID 62967066) is [4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine is NCc1nc(CN2CCN(CC(F)(F)F)CC2)cs1.
What is the InChIKey of [4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine?
The InChIKey is SCPNNGLZKAZKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4S/c12-11(13,14)8-18-3-1-17(2-4-18)6-9-7-19-10(5-15)16-9/h7H,1-6,8,15H2.
What are the key properties of [4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine?
[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine has a molecular weight of 294.35 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 62967066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).