2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-1,3-thiazole

C12H18F3N3OS — CID 86829416

IUPAC2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-1,3-thiazole
SMILESFC(F)(F)COCCCN1CCN(c2nccs2)CC1
InChIInChI=1S/C12H18F3N3OS/c13-12(14,15)10-19-8-1-3-17-4-6-18(7-5-17)11-16-2-9-20-11/h2,9H,1,3-8,10H2
InChIKeyUFQZZGOAVLWLDR-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.23
Rot. Bonds6

About 2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-1,3-thiazole

2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-1,3-thiazole (PubChem CID 86829416) has the molecular formula C12H18F3N3OS and a molecular weight of 309.36 g/mol. Its IUPAC name is 2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-1,3-thiazole
PubChem CID86829416
Molecular FormulaC12H18F3N3OS
Molecular Weight309.36 g/mol
Exact Mass309.11
IUPAC Name2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-1,3-thiazole
SMILESFC(F)(F)COCCCN1CCN(c2nccs2)CC1
InChIInChI=1S/C12H18F3N3OS/c13-12(14,15)10-19-8-1-3-17-4-6-18(7-5-17)11-16-2-9-20-11/h2,9H,1,3-8,10H2
InChIKeyUFQZZGOAVLWLDR-UHFFFAOYSA-N
XLogP2.23
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.23
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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Related Compounds

4-(1,3-Thiazol-2-yl)morpholine
CID 15475837
(E)-1-morpholin-4-yl-N-(1,3-thiazol-2-yl)methanimine
CID 9660703
2-(4,4-Difluoropiperidin-1-yl)thiazole
CID 121184631
2-[4-(Trifluoromethoxy)piperidin-1-yl]-1,3-thiazole
CID 175826008
3,3,3-Trifluoro-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 51078833
2-[4-[2-(2,2,2-Trifluoroethoxy)ethyl]piperazin-1-yl]-1,3-thiazole
CID 53530005
4,4,4-Trifluoro-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-amine
CID 61646898
2,2,2-Trifluoro-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 62646443
1,1,1-Trifluoro-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 63899579
2-[4-(2-Bromo-3,3,3-trifluoropropyl)piperazin-1-yl]-1,3-thiazole
CID 64758530
2,2,2-Trifluoroethyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate
CID 65173483
3,3,3-Trifluoro-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]propan-1-amine
CID 103366140

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-1,3-thiazole (CID 86829416) is 2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-1,3-thiazole is FC(F)(F)COCCCN1CCN(c2nccs2)CC1.
What is the InChIKey of 2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-1,3-thiazole?
The InChIKey is UFQZZGOAVLWLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3OS/c13-12(14,15)10-19-8-1-3-17-4-6-18(7-5-17)11-16-2-9-20-11/h2,9H,1,3-8,10H2.
What are the key properties of 2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-1,3-thiazole?
2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-1,3-thiazole has a molecular weight of 309.36 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 86829416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).