(Z)-N-tert-butylsulfanyl-1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanimine

C17H18ClFN2S — CID 144795550

IUPAC(Z)-N-tert-butylsulfanyl-1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanimine
SMILESC/C(=N/SC(C)(C)C)c1cc(Cl)nc(-c2ccc(F)cc2)c1
InChIInChI=1S/C17H18ClFN2S/c1-11(21-22-17(2,3)4)13-9-15(20-16(18)10-13)12-5-7-14(19)8-6-12/h5-10H,1-4H3/b21-11-
InChIKeyNFWCEQBNCSBAEB-NHDPSOOVSA-N
MW336.86 g/mol
LogP5.80
Rot. Bonds3

About (Z)-N-tert-butylsulfanyl-1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanimine

(Z)-N-tert-butylsulfanyl-1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanimine (PubChem CID 144795550) has the molecular formula C17H18ClFN2S and a molecular weight of 336.86 g/mol. Its IUPAC name is (Z)-N-tert-butylsulfanyl-1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanimine.

Molecular Properties

Compound Name(Z)-N-tert-butylsulfanyl-1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanimine
PubChem CID144795550
Molecular FormulaC17H18ClFN2S
Molecular Weight336.86 g/mol
Exact Mass336.09
IUPAC Name(Z)-N-tert-butylsulfanyl-1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanimine
SMILESC/C(=N/SC(C)(C)C)c1cc(Cl)nc(-c2ccc(F)cc2)c1
InChIInChI=1S/C17H18ClFN2S/c1-11(21-22-17(2,3)4)13-9-15(20-16(18)10-13)12-5-7-14(19)8-6-12/h5-10H,1-4H3/b21-11-
InChIKeyNFWCEQBNCSBAEB-NHDPSOOVSA-N
XLogP5.80
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.86
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-N-tert-butylsulfanyl-1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanone;ethane
CID 144796390
(E)-N-tert-butylsulfanyl-1-(2-chloro-4-pyridinyl)ethanimine
CID 178028341
ethane;methyl 2-chloro-6-(4-fluorophenyl)pyridine-4-carboxylate
CID 144796191
4-[(E)-N-tert-butylsulfanyl-C-methylcarbonimidoyl]-2,6-difluoro-N-methylaniline
CID 130222929
2-chloro-6-(4-chlorophenyl)pyridine-4-carboxylic acid
CID 79020635
[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]methanamine
CID 105498362
4-tert-butyl-6-chloro-2-(4-fluorophenyl)pyrimidine
CID 43557554
methyl 2-(4-chlorophenyl)-6-(4-fluorophenyl)pyridine-4-carboxylate
CID 44722916
4-(4-chlorophenyl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-6-phenylpyrimidin-2-amine
CID 7451972
4-chloro-2-(4-fluorophenyl)-6-methylpyrimidine
CID 23362081
2-chloro-6-(4-fluorophenyl)pyrazine;ethane
CID 178127340
1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine;ethane
CID 145146069

Frequently Asked Questions

What is the IUPAC name of (Z)-N-tert-butylsulfanyl-1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanimine?
The IUPAC name of (Z)-N-tert-butylsulfanyl-1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanimine (CID 144795550) is (Z)-N-tert-butylsulfanyl-1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanimine.
What is the SMILES notation for (Z)-N-tert-butylsulfanyl-1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanimine?
The canonical SMILES for (Z)-N-tert-butylsulfanyl-1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanimine is C/C(=N/SC(C)(C)C)c1cc(Cl)nc(-c2ccc(F)cc2)c1.
What is the InChIKey of (Z)-N-tert-butylsulfanyl-1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanimine?
The InChIKey is NFWCEQBNCSBAEB-NHDPSOOVSA-N. The full InChI is InChI=1S/C17H18ClFN2S/c1-11(21-22-17(2,3)4)13-9-15(20-16(18)10-13)12-5-7-14(19)8-6-12/h5-10H,1-4H3/b21-11-.
What are the key properties of (Z)-N-tert-butylsulfanyl-1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanimine?
(Z)-N-tert-butylsulfanyl-1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanimine has a molecular weight of 336.86 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-tert-butylsulfanyl-1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanimine is sourced from PubChem (CID 144795550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).