[(2,3-dimethylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine

C13H14F3N3S — CID 106787343

IUPAC[(2,3-dimethylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
SMILESCc1cccc(C(NN)c2cnc(C(F)(F)F)s2)c1C
InChIInChI=1S/C13H14F3N3S/c1-7-4-3-5-9(8(7)2)11(19-17)10-6-18-12(20-10)13(14,15)16/h3-6,11,19H,17H2,1-2H3
InChIKeyVHXHGHMEYGJUKK-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.33
Rot. Bonds3

About [(2,3-dimethylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine

[(2,3-dimethylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine (PubChem CID 106787343) has the molecular formula C13H14F3N3S and a molecular weight of 301.34 g/mol. Its IUPAC name is [(2,3-dimethylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine.

Molecular Properties

Compound Name[(2,3-dimethylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
PubChem CID106787343
Molecular FormulaC13H14F3N3S
Molecular Weight301.34 g/mol
Exact Mass301.09
IUPAC Name[(2,3-dimethylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
SMILESCc1cccc(C(NN)c2cnc(C(F)(F)F)s2)c1C
InChIInChI=1S/C13H14F3N3S/c1-7-4-3-5-9(8(7)2)11(19-17)10-6-18-12(20-10)13(14,15)16/h3-6,11,19H,17H2,1-2H3
InChIKeyVHXHGHMEYGJUKK-UHFFFAOYSA-N
XLogP3.33
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-[(2,3-dimethylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 106786407
(2-bromo-3-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 107985902
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethylhydrazine
CID 106786712
[(3-chloro-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
CID 106787398
[(4-methyl-2-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
CID 106786798
(2-chloro-3-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106786653
[pyridin-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
CID 106786696
[(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
CID 106786832
1-(2-iodophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106785216
[(2,3-dimethylphenyl)-pyrimidin-2-ylmethyl]hydrazine
CID 105203580
[(5-chlorofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
CID 106787327
[(3-methoxythiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
CID 106787198

Frequently Asked Questions

What is the IUPAC name of [(2,3-dimethylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine?
The IUPAC name of [(2,3-dimethylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine (CID 106787343) is [(2,3-dimethylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine.
What is the SMILES notation for [(2,3-dimethylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine?
The canonical SMILES for [(2,3-dimethylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine is Cc1cccc(C(NN)c2cnc(C(F)(F)F)s2)c1C.
What is the InChIKey of [(2,3-dimethylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine?
The InChIKey is VHXHGHMEYGJUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3S/c1-7-4-3-5-9(8(7)2)11(19-17)10-6-18-12(20-10)13(14,15)16/h3-6,11,19H,17H2,1-2H3.
What are the key properties of [(2,3-dimethylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine?
[(2,3-dimethylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine has a molecular weight of 301.34 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,3-dimethylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine is sourced from PubChem (CID 106787343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).