(E)-N-ethyl-4-(4-fluorophenyl)-3-[(E)-(2-iodophenyl)methylideneamino]-1,3-thiazol-2-imine

C18H15FIN3S — CID 6901226

IUPAC(E)-N-ethyl-4-(4-fluorophenyl)-3-[(E)-(2-iodophenyl)methylideneamino]-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2ccc(F)cc2)n1/N=C/c1ccccc1I
InChIInChI=1S/C18H15FIN3S/c1-2-21-18-23(22-11-14-5-3-4-6-16(14)20)17(12-24-18)13-7-9-15(19)10-8-13/h3-12H,2H2,1H3/b21-18-,22-11+
InChIKeyPBRRTSMPEJMTJD-ZBJYABMISA-N
MW451.31 g/mol
LogP4.76
Rot. Bonds4

About (E)-N-ethyl-4-(4-fluorophenyl)-3-[(E)-(2-iodophenyl)methylideneamino]-1,3-thiazol-2-imine

(E)-N-ethyl-4-(4-fluorophenyl)-3-[(E)-(2-iodophenyl)methylideneamino]-1,3-thiazol-2-imine (PubChem CID 6901226) has the molecular formula C18H15FIN3S and a molecular weight of 451.31 g/mol. Its IUPAC name is (E)-N-ethyl-4-(4-fluorophenyl)-3-[(E)-(2-iodophenyl)methylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(E)-N-ethyl-4-(4-fluorophenyl)-3-[(E)-(2-iodophenyl)methylideneamino]-1,3-thiazol-2-imine
PubChem CID6901226
Molecular FormulaC18H15FIN3S
Molecular Weight451.31 g/mol
Exact Mass451.00
IUPAC Name(E)-N-ethyl-4-(4-fluorophenyl)-3-[(E)-(2-iodophenyl)methylideneamino]-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2ccc(F)cc2)n1/N=C/c1ccccc1I
InChIInChI=1S/C18H15FIN3S/c1-2-21-18-23(22-11-14-5-3-4-6-16(14)20)17(12-24-18)13-7-9-15(19)10-8-13/h3-12H,2H2,1H3/b21-18-,22-11+
InChIKeyPBRRTSMPEJMTJD-ZBJYABMISA-N
XLogP4.76
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.31
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze (E)-N-ethyl-4-(4-fluorophenyl)-3-[(E)-(2-iodophenyl)methylideneamino]-1,3-thiazol-2-imine 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

(E)-N-ethyl-4-(4-fluorophenyl)-3-[(E)-4-methylpentan-2-ylideneamino]-1,3-thiazol-2-imine
CID 9627015
(E)-4-(2-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]-1,3-thiazol-2-imine
CID 9668546
4-(2-Fluorophenyl)-3-{[(3-fluorophenyl)methylidene]amino}-N-methyl-1,3-thiazol-2(3H)-imine
CID 2380455
3-[(3-bromophenyl)methylideneamino]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-imine
CID 2383522
(E)-3-[(E)-benzylideneamino]-4-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-imine
CID 6902624
(Z)-4-(2-fluorophenyl)-3-[(Z)-(2-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 5678863
3-[(2,4-difluorophenyl)methylideneamino]-N-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-imine
CID 2338816
3-[(4-fluorophenyl)methylideneamino]-N-methyl-4-(4-methylphenyl)-1,3-thiazol-2-imine
CID 2338988
3-[(4-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine
CID 2338989
4-(3-bromophenyl)-3-[(2-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 2339862
3-[(2-bromophenyl)methylideneamino]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-imine
CID 2340269
4-(3-bromophenyl)-3-[(3-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 2340270

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-4-(4-fluorophenyl)-3-[(E)-(2-iodophenyl)methylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of (E)-N-ethyl-4-(4-fluorophenyl)-3-[(E)-(2-iodophenyl)methylideneamino]-1,3-thiazol-2-imine (CID 6901226) is (E)-N-ethyl-4-(4-fluorophenyl)-3-[(E)-(2-iodophenyl)methylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for (E)-N-ethyl-4-(4-fluorophenyl)-3-[(E)-(2-iodophenyl)methylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for (E)-N-ethyl-4-(4-fluorophenyl)-3-[(E)-(2-iodophenyl)methylideneamino]-1,3-thiazol-2-imine is CC/N=c1\scc(-c2ccc(F)cc2)n1/N=C/c1ccccc1I.
What is the InChIKey of (E)-N-ethyl-4-(4-fluorophenyl)-3-[(E)-(2-iodophenyl)methylideneamino]-1,3-thiazol-2-imine?
The InChIKey is PBRRTSMPEJMTJD-ZBJYABMISA-N. The full InChI is InChI=1S/C18H15FIN3S/c1-2-21-18-23(22-11-14-5-3-4-6-16(14)20)17(12-24-18)13-7-9-15(19)10-8-13/h3-12H,2H2,1H3/b21-18-,22-11+.
What are the key properties of (E)-N-ethyl-4-(4-fluorophenyl)-3-[(E)-(2-iodophenyl)methylideneamino]-1,3-thiazol-2-imine?
(E)-N-ethyl-4-(4-fluorophenyl)-3-[(E)-(2-iodophenyl)methylideneamino]-1,3-thiazol-2-imine has a molecular weight of 451.31 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-4-(4-fluorophenyl)-3-[(E)-(2-iodophenyl)methylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 6901226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).