N-ethyl-2,2,2-trifluoro-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]ethanamine

C8H13F3N4S — CID 79764247

IUPACN-ethyl-2,2,2-trifluoro-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCCN(Cc1cnc(NN)s1)CC(F)(F)F
InChIInChI=1S/C8H13F3N4S/c1-2-15(5-8(9,10)11)4-6-3-13-7(14-12)16-6/h3H,2,4-5,12H2,1H3,(H,13,14)
InChIKeyGWLUAMCPZYCIHY-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.81
Rot. Bonds5

About N-ethyl-2,2,2-trifluoro-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]ethanamine

N-ethyl-2,2,2-trifluoro-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]ethanamine (PubChem CID 79764247) has the molecular formula C8H13F3N4S and a molecular weight of 254.28 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoro-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoro-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]ethanamine
PubChem CID79764247
Molecular FormulaC8H13F3N4S
Molecular Weight254.28 g/mol
Exact Mass254.08
IUPAC NameN-ethyl-2,2,2-trifluoro-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCCN(Cc1cnc(NN)s1)CC(F)(F)F
InChIInChI=1S/C8H13F3N4S/c1-2-15(5-8(9,10)11)4-6-3-13-7(14-12)16-6/h3H,2,4-5,12H2,1H3,(H,13,14)
InChIKeyGWLUAMCPZYCIHY-UHFFFAOYSA-N
XLogP1.81
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,2-trifluoro-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-ethyl-2,2,2-trifluoro-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]ethanamine (CID 79764247) is N-ethyl-2,2,2-trifluoro-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-2,2,2-trifluoro-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-ethyl-2,2,2-trifluoro-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]ethanamine is CCN(Cc1cnc(NN)s1)CC(F)(F)F.
What is the InChIKey of N-ethyl-2,2,2-trifluoro-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]ethanamine?
The InChIKey is GWLUAMCPZYCIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4S/c1-2-15(5-8(9,10)11)4-6-3-13-7(14-12)16-6/h3H,2,4-5,12H2,1H3,(H,13,14).
What are the key properties of N-ethyl-2,2,2-trifluoro-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]ethanamine?
N-ethyl-2,2,2-trifluoro-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]ethanamine has a molecular weight of 254.28 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,2-trifluoro-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 79764247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).