[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine

C12H16F3N5S — CID 62968414

IUPAC[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
SMILESNCc1c(N2CCN(CC(F)(F)F)CC2)nc2sccn12
InChIInChI=1S/C12H16F3N5S/c13-12(14,15)8-18-1-3-19(4-2-18)10-9(7-16)20-5-6-21-11(20)17-10/h5-6H,1-4,7-8,16H2
InChIKeyDBKHLGDALYYWKO-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.54
Rot. Bonds3

About [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine

[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine (PubChem CID 62968414) has the molecular formula C12H16F3N5S and a molecular weight of 319.36 g/mol. Its IUPAC name is [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
PubChem CID62968414
Molecular FormulaC12H16F3N5S
Molecular Weight319.36 g/mol
Exact Mass319.11
IUPAC Name[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
SMILESNCc1c(N2CCN(CC(F)(F)F)CC2)nc2sccn12
InChIInChI=1S/C12H16F3N5S/c13-12(14,15)8-18-1-3-19(4-2-18)10-9(7-16)20-5-6-21-11(20)17-10/h5-6H,1-4,7-8,16H2
InChIKeyDBKHLGDALYYWKO-UHFFFAOYSA-N
XLogP1.54
TPSA49.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The IUPAC name of [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine (CID 62968414) is [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine.
What is the SMILES notation for [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The canonical SMILES for [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine is NCc1c(N2CCN(CC(F)(F)F)CC2)nc2sccn12.
What is the InChIKey of [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The InChIKey is DBKHLGDALYYWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5S/c13-12(14,15)8-18-1-3-19(4-2-18)10-9(7-16)20-5-6-21-11(20)17-10/h5-6H,1-4,7-8,16H2.
What are the key properties of [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine has a molecular weight of 319.36 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine is sourced from PubChem (CID 62968414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).