N-(4-fluorophenyl)-3-hexyl-4-(4-methoxyphenyl)-1,3-thiazol-2-imine

C22H25FN2OS — CID 44761956

IUPACN-(4-fluorophenyl)-3-hexyl-4-(4-methoxyphenyl)-1,3-thiazol-2-imine
SMILESCCCCCCn1c(-c2ccc(OC)cc2)cs/c1=N\c1ccc(F)cc1
InChIInChI=1S/C22H25FN2OS/c1-3-4-5-6-15-25-21(17-7-13-20(26-2)14-8-17)16-27-22(25)24-19-11-9-18(23)10-12-19/h7-14,16H,3-6,15H2,1-2H3/b24-22-
InChIKeyPSZOFPXECMBYNP-GYHWCHFESA-N
MW384.52 g/mol
LogP6.18
Rot. Bonds8

About N-(4-fluorophenyl)-3-hexyl-4-(4-methoxyphenyl)-1,3-thiazol-2-imine

N-(4-fluorophenyl)-3-hexyl-4-(4-methoxyphenyl)-1,3-thiazol-2-imine (PubChem CID 44761956) has the molecular formula C22H25FN2OS and a molecular weight of 384.52 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-hexyl-4-(4-methoxyphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-hexyl-4-(4-methoxyphenyl)-1,3-thiazol-2-imine
PubChem CID44761956
Molecular FormulaC22H25FN2OS
Molecular Weight384.52 g/mol
Exact Mass384.17
IUPAC NameN-(4-fluorophenyl)-3-hexyl-4-(4-methoxyphenyl)-1,3-thiazol-2-imine
SMILESCCCCCCn1c(-c2ccc(OC)cc2)cs/c1=N\c1ccc(F)cc1
InChIInChI=1S/C22H25FN2OS/c1-3-4-5-6-15-25-21(17-7-13-20(26-2)14-8-17)16-27-22(25)24-19-11-9-18(23)10-12-19/h7-14,16H,3-6,15H2,1-2H3/b24-22-
InChIKeyPSZOFPXECMBYNP-GYHWCHFESA-N
XLogP6.18
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(4-fluorophenyl)-3-hexyl-4-(4-methoxyphenyl)-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

N-(4-methoxyphenyl)-3-pentyl-4-phenyl-1,3-thiazol-2-imine
CID 18812697
4-(4-fluorophenyl)-3-pentyl-N-phenyl-1,3-thiazol-2-imine
CID 3736483
4-[2-(4-methoxyphenyl)imino-3-pentyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide
CID 18812706
4-(4-bromophenyl)-N-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-imine
CID 3970172
4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
CID 3800122
3-hexyl-N-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-imine
CID 18813168
3-[4-(4-fluorophenyl)-2-(4-fluorophenyl)imino-1,3-thiazol-3-yl]propan-1-ol
CID 3603076
N-(4-ethoxyphenyl)-3-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-imine
CID 18812902
3-(3-imidazol-1-ylpropyl)-N,4-bis(4-methoxyphenyl)-1,3-thiazol-2-imine
CID 23822799
3-butyl-N-(4-fluorophenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23762274
4-[2-(4-ethoxyphenyl)imino-3-hexyl-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide
CID 18812946
2-[4-(4-chlorophenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol bromide
CID 21178881

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-hexyl-4-(4-methoxyphenyl)-1,3-thiazol-2-imine?
The IUPAC name of N-(4-fluorophenyl)-3-hexyl-4-(4-methoxyphenyl)-1,3-thiazol-2-imine (CID 44761956) is N-(4-fluorophenyl)-3-hexyl-4-(4-methoxyphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for N-(4-fluorophenyl)-3-hexyl-4-(4-methoxyphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for N-(4-fluorophenyl)-3-hexyl-4-(4-methoxyphenyl)-1,3-thiazol-2-imine is CCCCCCn1c(-c2ccc(OC)cc2)cs/c1=N\c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3-hexyl-4-(4-methoxyphenyl)-1,3-thiazol-2-imine?
The InChIKey is PSZOFPXECMBYNP-GYHWCHFESA-N. The full InChI is InChI=1S/C22H25FN2OS/c1-3-4-5-6-15-25-21(17-7-13-20(26-2)14-8-17)16-27-22(25)24-19-11-9-18(23)10-12-19/h7-14,16H,3-6,15H2,1-2H3/b24-22-.
What are the key properties of N-(4-fluorophenyl)-3-hexyl-4-(4-methoxyphenyl)-1,3-thiazol-2-imine?
N-(4-fluorophenyl)-3-hexyl-4-(4-methoxyphenyl)-1,3-thiazol-2-imine has a molecular weight of 384.52 g/mol, XLogP of 6.18, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-hexyl-4-(4-methoxyphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 44761956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).