[1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine

C13H13F4N3S — CID 105316164

IUPAC[1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
SMILESCc1nc(CC(NN)c2ccc(F)c(C(F)(F)F)c2)cs1
InChIInChI=1S/C13H13F4N3S/c1-7-19-9(6-21-7)5-12(20-18)8-2-3-11(14)10(4-8)13(15,16)17/h2-4,6,12,20H,5,18H2,1H3
InChIKeyVJNMNSRTHBENCK-UHFFFAOYSA-N
MW319.33 g/mol
LogP3.36
Rot. Bonds4

About [1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine

[1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine (PubChem CID 105316164) has the molecular formula C13H13F4N3S and a molecular weight of 319.33 g/mol. Its IUPAC name is [1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
PubChem CID105316164
Molecular FormulaC13H13F4N3S
Molecular Weight319.33 g/mol
Exact Mass319.08
IUPAC Name[1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
SMILESCc1nc(CC(NN)c2ccc(F)c(C(F)(F)F)c2)cs1
InChIInChI=1S/C13H13F4N3S/c1-7-19-9(6-21-7)5-12(20-18)8-2-3-11(14)10(4-8)13(15,16)17/h2-4,6,12,20H,5,18H2,1H3
InChIKeyVJNMNSRTHBENCK-UHFFFAOYSA-N
XLogP3.36
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 53.36
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

[2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105214746
[1-(4-bromo-3-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105316087
[1-(4-iodophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105316235
[1-(4-methoxy-3-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105258441
[2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105214788
[1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105316122
4-[1-hydrazinyl-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylaniline
CID 105316088
[1-(3-ethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105214571
[1-[3-(2-methylpropyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105214792
[1,1,1-trifluoro-3-(2-methyl-1,3-thiazol-4-yl)propan-2-yl]hydrazine
CID 105215784
[1-(5-chloro-2-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105316256
N-[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 107291930

Frequently Asked Questions

What is the IUPAC name of [1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine?
The IUPAC name of [1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine (CID 105316164) is [1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine.
What is the SMILES notation for [1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine?
The canonical SMILES for [1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine is Cc1nc(CC(NN)c2ccc(F)c(C(F)(F)F)c2)cs1.
What is the InChIKey of [1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine?
The InChIKey is VJNMNSRTHBENCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F4N3S/c1-7-19-9(6-21-7)5-12(20-18)8-2-3-11(14)10(4-8)13(15,16)17/h2-4,6,12,20H,5,18H2,1H3.
What are the key properties of [1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine?
[1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine has a molecular weight of 319.33 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine is sourced from PubChem (CID 105316164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).