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

C8H13F3N4S — CID 79765284

IUPAC3,3,3-trifluoro-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-methylpropan-1-amine
SMILESCN(CCC(F)(F)F)Cc1cnc(NN)s1
InChIInChI=1S/C8H13F3N4S/c1-15(3-2-8(9,10)11)5-6-4-13-7(14-12)16-6/h4H,2-3,5,12H2,1H3,(H,13,14)
InChIKeyKCQATVZTOSBSIM-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.81
Rot. Bonds5

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

3,3,3-trifluoro-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-methylpropan-1-amine (PubChem CID 79765284) has the molecular formula C8H13F3N4S and a molecular weight of 254.28 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-methylpropan-1-amine
PubChem CID79765284
Molecular FormulaC8H13F3N4S
Molecular Weight254.28 g/mol
Exact Mass254.08
IUPAC Name3,3,3-trifluoro-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-methylpropan-1-amine
SMILESCN(CCC(F)(F)F)Cc1cnc(NN)s1
InChIInChI=1S/C8H13F3N4S/c1-15(3-2-8(9,10)11)5-6-4-13-7(14-12)16-6/h4H,2-3,5,12H2,1H3,(H,13,14)
InChIKeyKCQATVZTOSBSIM-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 3,3,3-trifluoro-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-methylpropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-methylpropan-1-amine (CID 79765284) is 3,3,3-trifluoro-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-methylpropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-methylpropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-methylpropan-1-amine is CN(CCC(F)(F)F)Cc1cnc(NN)s1.
What is the InChIKey of 3,3,3-trifluoro-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-methylpropan-1-amine?
The InChIKey is KCQATVZTOSBSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4S/c1-15(3-2-8(9,10)11)5-6-4-13-7(14-12)16-6/h4H,2-3,5,12H2,1H3,(H,13,14).
What are the key properties of 3,3,3-trifluoro-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-methylpropan-1-amine?
3,3,3-trifluoro-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-methylpropan-1-amine 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 3,3,3-trifluoro-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-methylpropan-1-amine is sourced from PubChem (CID 79765284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).