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

C10H15F3N4S — CID 103362746

IUPAC4-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine
SMILESCc1c(N)nsc1N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H15F3N4S/c1-7-8(14)15-18-9(7)17-4-2-16(3-5-17)6-10(11,12)13/h2-6H2,1H3,(H2,14,15)
InChIKeyOCWWJVRNZIAFJF-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.72
Rot. Bonds2

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

4-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine (PubChem CID 103362746) has the molecular formula C10H15F3N4S and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine.

Molecular Properties

Compound Name4-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine
PubChem CID103362746
Molecular FormulaC10H15F3N4S
Molecular Weight280.32 g/mol
Exact Mass280.10
IUPAC Name4-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine
SMILESCc1c(N)nsc1N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H15F3N4S/c1-7-8(14)15-18-9(7)17-4-2-16(3-5-17)6-10(11,12)13/h2-6H2,1H3,(H2,14,15)
InChIKeyOCWWJVRNZIAFJF-UHFFFAOYSA-N
XLogP1.72
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine?
The IUPAC name of 4-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine (CID 103362746) is 4-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine.
What is the SMILES notation for 4-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine?
The canonical SMILES for 4-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine is Cc1c(N)nsc1N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine?
The InChIKey is OCWWJVRNZIAFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4S/c1-7-8(14)15-18-9(7)17-4-2-16(3-5-17)6-10(11,12)13/h2-6H2,1H3,(H2,14,15).
What are the key properties of 4-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine?
4-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine has a molecular weight of 280.32 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine is sourced from PubChem (CID 103362746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).