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

C11H8ClF4N3S — CID 106786791

IUPAC[(3-chloro-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
SMILESNNC(c1ccc(F)c(Cl)c1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H8ClF4N3S/c12-6-3-5(1-2-7(6)13)9(19-17)8-4-18-10(20-8)11(14,15)16/h1-4,9,19H,17H2
InChIKeyPUOJFVOIQQOQNK-UHFFFAOYSA-N
MW325.72 g/mol
LogP3.51
Rot. Bonds3

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

[(3-chloro-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine (PubChem CID 106786791) has the molecular formula C11H8ClF4N3S and a molecular weight of 325.72 g/mol. Its IUPAC name is [(3-chloro-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine.

Molecular Properties

Compound Name[(3-chloro-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
PubChem CID106786791
Molecular FormulaC11H8ClF4N3S
Molecular Weight325.72 g/mol
Exact Mass325.01
IUPAC Name[(3-chloro-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
SMILESNNC(c1ccc(F)c(Cl)c1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H8ClF4N3S/c12-6-3-5(1-2-7(6)13)9(19-17)8-4-18-10(20-8)11(14,15)16/h1-4,9,19H,17H2
InChIKeyPUOJFVOIQQOQNK-UHFFFAOYSA-N
XLogP3.51
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.72
LogP ≤ 53.51
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-chloro-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
CID 106787398
[(5-chlorofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
CID 106787327
[pyridin-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
CID 106786696
1-(4-chloro-3-methylphenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106786395
[(3-chloro-4-fluorophenyl)-phenylmethyl]hydrazine
CID 105218019
N-[(3-chloro-4-iodophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 106785285
[[3-fluoro-4-(trifluoromethyl)phenyl]-(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine
CID 114031846
1-(3,5-dichlorophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106785809
(3,4-difluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782057
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethylhydrazine
CID 106786712
[(4-methyl-2-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
CID 106786798
[2-(2-chloro-4-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]hydrazine
CID 106786780

Frequently Asked Questions

What is the IUPAC name of [(3-chloro-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine?
The IUPAC name of [(3-chloro-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine (CID 106786791) is [(3-chloro-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine.
What is the SMILES notation for [(3-chloro-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine?
The canonical SMILES for [(3-chloro-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine is NNC(c1ccc(F)c(Cl)c1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of [(3-chloro-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine?
The InChIKey is PUOJFVOIQQOQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF4N3S/c12-6-3-5(1-2-7(6)13)9(19-17)8-4-18-10(20-8)11(14,15)16/h1-4,9,19H,17H2.
What are the key properties of [(3-chloro-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine?
[(3-chloro-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine has a molecular weight of 325.72 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-chloro-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine is sourced from PubChem (CID 106786791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).