[[3-fluoro-4-(trifluoromethyl)phenyl]-(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine

C12H11F4N3S — CID 114031846

IUPAC[[3-fluoro-4-(trifluoromethyl)phenyl]-(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine
SMILESCc1ncc(C(NN)c2ccc(C(F)(F)F)c(F)c2)s1
InChIInChI=1S/C12H11F4N3S/c1-6-18-5-10(20-6)11(19-17)7-2-3-8(9(13)4-7)12(14,15)16/h2-5,11,19H,17H2,1H3
InChIKeyZWODIJPPSMKFOM-UHFFFAOYSA-N
MW305.30 g/mol
LogP3.16
Rot. Bonds3

About [[3-fluoro-4-(trifluoromethyl)phenyl]-(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine

[[3-fluoro-4-(trifluoromethyl)phenyl]-(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine (PubChem CID 114031846) has the molecular formula C12H11F4N3S and a molecular weight of 305.30 g/mol. Its IUPAC name is [[3-fluoro-4-(trifluoromethyl)phenyl]-(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[[3-fluoro-4-(trifluoromethyl)phenyl]-(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine
PubChem CID114031846
Molecular FormulaC12H11F4N3S
Molecular Weight305.30 g/mol
Exact Mass305.06
IUPAC Name[[3-fluoro-4-(trifluoromethyl)phenyl]-(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine
SMILESCc1ncc(C(NN)c2ccc(C(F)(F)F)c(F)c2)s1
InChIInChI=1S/C12H11F4N3S/c1-6-18-5-10(20-6)11(19-17)7-2-3-8(9(13)4-7)12(14,15)16/h2-5,11,19H,17H2,1H3
InChIKeyZWODIJPPSMKFOM-UHFFFAOYSA-N
XLogP3.16
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 53.16
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

[[3-fluoro-4-(trifluoromethyl)phenyl]-(6-methyl-3-pyridinyl)methyl]hydrazine
CID 107292495
[[3-fluoro-4-(trifluoromethyl)phenyl]-(thiadiazol-5-yl)methyl]hydrazine
CID 107292527
[[3-fluoro-4-(trifluoromethyl)phenyl]-pyrazin-2-ylmethyl]hydrazine
CID 107292256
[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine
CID 114031820
[[3-fluoro-4-(trifluoromethyl)phenyl]-pyridin-3-ylmethyl]hydrazine
CID 107292241
[(3-chloro-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
CID 106786791
[(2,5-dimethylpyrazol-3-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 107292483
[(2-methyl-1,3-thiazol-5-yl)-quinolin-6-ylmethyl]hydrazine
CID 114031832
[(2-chlorofuran-3-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 107292531
[(5-bromofuran-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 107292488
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-thiophen-2-ylmethanamine
CID 107288722
[(3-fluoro-4-methylphenyl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105201488

Frequently Asked Questions

What is the IUPAC name of [[3-fluoro-4-(trifluoromethyl)phenyl]-(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine?
The IUPAC name of [[3-fluoro-4-(trifluoromethyl)phenyl]-(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine (CID 114031846) is [[3-fluoro-4-(trifluoromethyl)phenyl]-(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine.
What is the SMILES notation for [[3-fluoro-4-(trifluoromethyl)phenyl]-(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine?
The canonical SMILES for [[3-fluoro-4-(trifluoromethyl)phenyl]-(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine is Cc1ncc(C(NN)c2ccc(C(F)(F)F)c(F)c2)s1.
What is the InChIKey of [[3-fluoro-4-(trifluoromethyl)phenyl]-(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine?
The InChIKey is ZWODIJPPSMKFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F4N3S/c1-6-18-5-10(20-6)11(19-17)7-2-3-8(9(13)4-7)12(14,15)16/h2-5,11,19H,17H2,1H3.
What are the key properties of [[3-fluoro-4-(trifluoromethyl)phenyl]-(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine?
[[3-fluoro-4-(trifluoromethyl)phenyl]-(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine has a molecular weight of 305.30 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-fluoro-4-(trifluoromethyl)phenyl]-(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine is sourced from PubChem (CID 114031846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).