N-ethyl-4-(4-fluorophenyl)-3-(4-phenylbutan-2-ylideneamino)-1,3-thiazol-2-imine

C21H22FN3S — CID 23794045

IUPACN-ethyl-4-(4-fluorophenyl)-3-(4-phenylbutan-2-ylideneamino)-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2ccc(F)cc2)n1N=C(C)CCc1ccccc1
InChIInChI=1S/C21H22FN3S/c1-3-23-21-25(20(15-26-21)18-11-13-19(22)14-12-18)24-16(2)9-10-17-7-5-4-6-8-17/h4-8,11-15H,3,9-10H2,1-2H3/b23-21-,24-16?
InChIKeyRLVZEKPXGMETRI-INTXCLEASA-N
MW367.49 g/mol
LogP5.13
Rot. Bonds6

About N-ethyl-4-(4-fluorophenyl)-3-(4-phenylbutan-2-ylideneamino)-1,3-thiazol-2-imine

N-ethyl-4-(4-fluorophenyl)-3-(4-phenylbutan-2-ylideneamino)-1,3-thiazol-2-imine (PubChem CID 23794045) has the molecular formula C21H22FN3S and a molecular weight of 367.49 g/mol. Its IUPAC name is N-ethyl-4-(4-fluorophenyl)-3-(4-phenylbutan-2-ylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-ethyl-4-(4-fluorophenyl)-3-(4-phenylbutan-2-ylideneamino)-1,3-thiazol-2-imine
PubChem CID23794045
Molecular FormulaC21H22FN3S
Molecular Weight367.49 g/mol
Exact Mass367.15
IUPAC NameN-ethyl-4-(4-fluorophenyl)-3-(4-phenylbutan-2-ylideneamino)-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2ccc(F)cc2)n1N=C(C)CCc1ccccc1
InChIInChI=1S/C21H22FN3S/c1-3-23-21-25(20(15-26-21)18-11-13-19(22)14-12-18)24-16(2)9-10-17-7-5-4-6-8-17/h4-8,11-15H,3,9-10H2,1-2H3/b23-21-,24-16?
InChIKeyRLVZEKPXGMETRI-INTXCLEASA-N
XLogP5.13
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-ethyl-4-(4-fluorophenyl)-3-(4-phenylbutan-2-ylideneamino)-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

4-phenyl-3-(4-phenylbutan-2-ylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine
CID 23733179
(Z)-N-ethyl-3-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-imine
CID 7959628
(E)-N-ethyl-4-(4-fluorophenyl)-3-[(E)-(2-iodophenyl)methylideneamino]-1,3-thiazol-2-imine
CID 6901226
2-[[4-(4-fluorophenyl)-2-(2-phenylethylimino)-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135824895
N-ethyl-3-[1-(5-methylfuran-2-yl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-imine
CID 4014518
(Z)-N-ethyl-3-[(Z)-(2-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-imine
CID 7959639
(Z)-N-ethyl-3-[(Z)-(3-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-imine
CID 7974865
(Z)-3-[(Z)-benzylideneamino]-N-ethyl-4-phenyl-1,3-thiazol-2-imine
CID 7959634
2-[N-[4-(4-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]naphthalen-1-ol
CID 135819318
3-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-N-ethyl-4-phenyl-1,3-thiazol-2-imine
CID 23733273
3-(cyclohexylideneamino)-N-ethyl-4-phenyl-1,3-thiazol-2-imine
CID 7974852
3-(cyclooctylideneamino)-N-ethyl-4-phenyl-1,3-thiazol-2-imine
CID 23885359

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-fluorophenyl)-3-(4-phenylbutan-2-ylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of N-ethyl-4-(4-fluorophenyl)-3-(4-phenylbutan-2-ylideneamino)-1,3-thiazol-2-imine (CID 23794045) is N-ethyl-4-(4-fluorophenyl)-3-(4-phenylbutan-2-ylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for N-ethyl-4-(4-fluorophenyl)-3-(4-phenylbutan-2-ylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for N-ethyl-4-(4-fluorophenyl)-3-(4-phenylbutan-2-ylideneamino)-1,3-thiazol-2-imine is CC/N=c1\scc(-c2ccc(F)cc2)n1N=C(C)CCc1ccccc1.
What is the InChIKey of N-ethyl-4-(4-fluorophenyl)-3-(4-phenylbutan-2-ylideneamino)-1,3-thiazol-2-imine?
The InChIKey is RLVZEKPXGMETRI-INTXCLEASA-N. The full InChI is InChI=1S/C21H22FN3S/c1-3-23-21-25(20(15-26-21)18-11-13-19(22)14-12-18)24-16(2)9-10-17-7-5-4-6-8-17/h4-8,11-15H,3,9-10H2,1-2H3/b23-21-,24-16?.
What are the key properties of N-ethyl-4-(4-fluorophenyl)-3-(4-phenylbutan-2-ylideneamino)-1,3-thiazol-2-imine?
N-ethyl-4-(4-fluorophenyl)-3-(4-phenylbutan-2-ylideneamino)-1,3-thiazol-2-imine has a molecular weight of 367.49 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-fluorophenyl)-3-(4-phenylbutan-2-ylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 23794045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).