5,5-dimethyl-2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]-4H-1,3-thiazole

C13H22F3N3OS — CID 75378117

IUPAC5,5-dimethyl-2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]-4H-1,3-thiazole
SMILESCC1(C)CN=C(N2CCN(CCOCC(F)(F)F)CC2)S1
InChIInChI=1S/C13H22F3N3OS/c1-12(2)9-17-11(21-12)19-5-3-18(4-6-19)7-8-20-10-13(14,15)16/h3-10H2,1-2H3
InChIKeySSPCORMXIUGTFI-UHFFFAOYSA-N
MW325.40 g/mol
LogP2.06
Rot. Bonds4

About 5,5-dimethyl-2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]-4H-1,3-thiazole

5,5-dimethyl-2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]-4H-1,3-thiazole (PubChem CID 75378117) has the molecular formula C13H22F3N3OS and a molecular weight of 325.40 g/mol. Its IUPAC name is 5,5-dimethyl-2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]-4H-1,3-thiazole.

Molecular Properties

Compound Name5,5-dimethyl-2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]-4H-1,3-thiazole
PubChem CID75378117
Molecular FormulaC13H22F3N3OS
Molecular Weight325.40 g/mol
Exact Mass325.14
IUPAC Name5,5-dimethyl-2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]-4H-1,3-thiazole
SMILESCC1(C)CN=C(N2CCN(CCOCC(F)(F)F)CC2)S1
InChIInChI=1S/C13H22F3N3OS/c1-12(2)9-17-11(21-12)19-5-3-18(4-6-19)7-8-20-10-13(14,15)16/h3-10H2,1-2H3
InChIKeySSPCORMXIUGTFI-UHFFFAOYSA-N
XLogP2.06
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]-4H-1,3-thiazole?
The IUPAC name of 5,5-dimethyl-2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]-4H-1,3-thiazole (CID 75378117) is 5,5-dimethyl-2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]-4H-1,3-thiazole.
What is the SMILES notation for 5,5-dimethyl-2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]-4H-1,3-thiazole?
The canonical SMILES for 5,5-dimethyl-2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]-4H-1,3-thiazole is CC1(C)CN=C(N2CCN(CCOCC(F)(F)F)CC2)S1.
What is the InChIKey of 5,5-dimethyl-2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]-4H-1,3-thiazole?
The InChIKey is SSPCORMXIUGTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3OS/c1-12(2)9-17-11(21-12)19-5-3-18(4-6-19)7-8-20-10-13(14,15)16/h3-10H2,1-2H3.
What are the key properties of 5,5-dimethyl-2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]-4H-1,3-thiazole?
5,5-dimethyl-2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]-4H-1,3-thiazole has a molecular weight of 325.40 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]-4H-1,3-thiazole is sourced from PubChem (CID 75378117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).