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

C7H11F3N4S — CID 79775000

IUPAC2,2,2-trifluoro-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-methylethanamine
SMILESCN(Cc1cnc(NN)s1)CC(F)(F)F
InChIInChI=1S/C7H11F3N4S/c1-14(4-7(8,9)10)3-5-2-12-6(13-11)15-5/h2H,3-4,11H2,1H3,(H,12,13)
InChIKeyXMUIFQFTTLPZMM-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.42
Rot. Bonds4

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

2,2,2-trifluoro-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-methylethanamine (PubChem CID 79775000) has the molecular formula C7H11F3N4S and a molecular weight of 240.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-methylethanamine
PubChem CID79775000
Molecular FormulaC7H11F3N4S
Molecular Weight240.25 g/mol
Exact Mass240.07
IUPAC Name2,2,2-trifluoro-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-methylethanamine
SMILESCN(Cc1cnc(NN)s1)CC(F)(F)F
InChIInChI=1S/C7H11F3N4S/c1-14(4-7(8,9)10)3-5-2-12-6(13-11)15-5/h2H,3-4,11H2,1H3,(H,12,13)
InChIKeyXMUIFQFTTLPZMM-UHFFFAOYSA-N
XLogP1.42
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.42
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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Related Compounds

2-Hydrazinyl-5-methylthiazole
CID 45076310
5-[(3,3-Difluoropyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 120902687
Ethane;5-(trifluoromethyl)-1,3-thiazol-2-amine
CID 144410128
N,N-diethyl-5-[(2,2,2-trifluoroethylamino)methyl]-1,3-thiazol-2-amine
CID 43755056
N-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55112013
N-propyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55112589
5-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62750009
N-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62750611
5-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62750612
5-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62750854
5-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62751023
5-(ethylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62752518

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-methylethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-methylethanamine (CID 79775000) is 2,2,2-trifluoro-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-methylethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-methylethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-methylethanamine is CN(Cc1cnc(NN)s1)CC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-methylethanamine?
The InChIKey is XMUIFQFTTLPZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4S/c1-14(4-7(8,9)10)3-5-2-12-6(13-11)15-5/h2H,3-4,11H2,1H3,(H,12,13).
What are the key properties of 2,2,2-trifluoro-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-methylethanamine?
2,2,2-trifluoro-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-methylethanamine has a molecular weight of 240.25 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-methylethanamine is sourced from PubChem (CID 79775000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).