2,2,2-trifluoro-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]ethanamine

C11H17F3N4S — CID 62573229

IUPAC2,2,2-trifluoro-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]ethanamine
SMILESFC(F)(F)CNCCN1CCN(c2nccs2)CC1
InChIInChI=1S/C11H17F3N4S/c12-11(13,14)9-15-1-3-17-4-6-18(7-5-17)10-16-2-8-19-10/h2,8,15H,1,3-7,9H2
InChIKeyIZWUMAUDYNSTFW-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.42
Rot. Bonds5

About 2,2,2-trifluoro-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]ethanamine

2,2,2-trifluoro-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]ethanamine (PubChem CID 62573229) has the molecular formula C11H17F3N4S and a molecular weight of 294.35 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]ethanamine
PubChem CID62573229
Molecular FormulaC11H17F3N4S
Molecular Weight294.35 g/mol
Exact Mass294.11
IUPAC Name2,2,2-trifluoro-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]ethanamine
SMILESFC(F)(F)CNCCN1CCN(c2nccs2)CC1
InChIInChI=1S/C11H17F3N4S/c12-11(13,14)9-15-1-3-17-4-6-18(7-5-17)10-16-2-8-19-10/h2,8,15H,1,3-7,9H2
InChIKeyIZWUMAUDYNSTFW-UHFFFAOYSA-N
XLogP1.42
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]butan-2-amine
CID 62573951
2-[4-(2-bromoethyl)piperazin-1-yl]-1,3-thiazole
CID 61288747
2,2-dimethyl-N-propyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine
CID 62263028
2-[4-(3-chloropropyl)piperazin-1-yl]-1,3-thiazole
CID 15743929
2-bromo-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]aniline
CID 62573949
N-(2-methoxyethyl)-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-amine
CID 62569125
2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3-thiazole
CID 126858355
N-ethyl-2-methyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]butan-1-amine
CID 62263594
2-[4-[(E)-3-chloroprop-2-enyl]piperazin-1-yl]-1,3-thiazole
CID 134001056
5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentanehydrazide
CID 63568871
3,3,3-trifluoro-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]propanoic acid
CID 80996624
3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propane-1-sulfonic acid
CID 88596257

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]ethanamine (CID 62573229) is 2,2,2-trifluoro-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]ethanamine is FC(F)(F)CNCCN1CCN(c2nccs2)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]ethanamine?
The InChIKey is IZWUMAUDYNSTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4S/c12-11(13,14)9-15-1-3-17-4-6-18(7-5-17)10-16-2-8-19-10/h2,8,15H,1,3-7,9H2.
What are the key properties of 2,2,2-trifluoro-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]ethanamine?
2,2,2-trifluoro-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]ethanamine has a molecular weight of 294.35 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]ethanamine is sourced from PubChem (CID 62573229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).