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

C9H13F3N4S — CID 102768376

IUPAC2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-amine
SMILESNc1cnc(N2CCN(CC(F)(F)F)CC2)s1
InChIInChI=1S/C9H13F3N4S/c10-9(11,12)6-15-1-3-16(4-2-15)8-14-5-7(13)17-8/h5H,1-4,6,13H2
InChIKeyNVKKWJUKVNQWBI-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.41
Rot. Bonds2

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

2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-amine (PubChem CID 102768376) has the molecular formula C9H13F3N4S and a molecular weight of 266.29 g/mol. Its IUPAC name is 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-amine
PubChem CID102768376
Molecular FormulaC9H13F3N4S
Molecular Weight266.29 g/mol
Exact Mass266.08
IUPAC Name2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-amine
SMILESNc1cnc(N2CCN(CC(F)(F)F)CC2)s1
InChIInChI=1S/C9H13F3N4S/c10-9(11,12)6-15-1-3-16(4-2-15)8-14-5-7(13)17-8/h5H,1-4,6,13H2
InChIKeyNVKKWJUKVNQWBI-UHFFFAOYSA-N
XLogP1.41
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-amine?
The IUPAC name of 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-amine (CID 102768376) is 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-amine.
What is the SMILES notation for 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-amine?
The canonical SMILES for 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-amine is Nc1cnc(N2CCN(CC(F)(F)F)CC2)s1.
What is the InChIKey of 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-amine?
The InChIKey is NVKKWJUKVNQWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4S/c10-9(11,12)6-15-1-3-16(4-2-15)8-14-5-7(13)17-8/h5H,1-4,6,13H2.
What are the key properties of 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-amine?
2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-amine has a molecular weight of 266.29 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-amine is sourced from PubChem (CID 102768376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).