5-[[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole

C12H18F3N3S — CID 75506976

IUPAC5-[[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCC1(C)CN(CC(F)(F)F)CCN1Cc1cncs1
InChIInChI=1S/C12H18F3N3S/c1-11(2)7-17(8-12(13,14)15)3-4-18(11)6-10-5-16-9-19-10/h5,9H,3-4,6-8H2,1-2H3
InChIKeySNMSFGKWJCGIQF-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.60
Rot. Bonds3

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

5-[[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 75506976) has the molecular formula C12H18F3N3S and a molecular weight of 293.36 g/mol. Its IUPAC name is 5-[[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID75506976
Molecular FormulaC12H18F3N3S
Molecular Weight293.36 g/mol
Exact Mass293.12
IUPAC Name5-[[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCC1(C)CN(CC(F)(F)F)CCN1Cc1cncs1
InChIInChI=1S/C12H18F3N3S/c1-11(2)7-17(8-12(13,14)15)3-4-18(11)6-10-5-16-9-19-10/h5,9H,3-4,6-8H2,1-2H3
InChIKeySNMSFGKWJCGIQF-UHFFFAOYSA-N
XLogP2.60
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 5-[[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole (CID 75506976) is 5-[[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 5-[[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 5-[[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole is CC1(C)CN(CC(F)(F)F)CCN1Cc1cncs1.
What is the InChIKey of 5-[[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is SNMSFGKWJCGIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3S/c1-11(2)7-17(8-12(13,14)15)3-4-18(11)6-10-5-16-9-19-10/h5,9H,3-4,6-8H2,1-2H3.
What are the key properties of 5-[[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole?
5-[[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 293.36 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 75506976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).