N-[(3-fluoro-5-hexoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine

C22H24FN3OS — CID 168577042

IUPACN-[(3-fluoro-5-hexoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCCCCCCOc1cc(F)cc(C=NNc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C22H24FN3OS/c1-2-3-4-8-11-27-20-13-17(12-19(23)14-20)15-24-26-22-25-21(16-28-22)18-9-6-5-7-10-18/h5-7,9-10,12-16H,2-4,8,11H2,1H3,(H,25,26)
InChIKeyHLAPXQSGYVAVOR-UHFFFAOYSA-N
MW397.52 g/mol
LogP6.35
Rot. Bonds10

About N-[(3-fluoro-5-hexoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine

N-[(3-fluoro-5-hexoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 168577042) has the molecular formula C22H24FN3OS and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[(3-fluoro-5-hexoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(3-fluoro-5-hexoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
PubChem CID168577042
Molecular FormulaC22H24FN3OS
Molecular Weight397.52 g/mol
Exact Mass397.16
IUPAC NameN-[(3-fluoro-5-hexoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCCCCCCOc1cc(F)cc(C=NNc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C22H24FN3OS/c1-2-3-4-8-11-27-20-13-17(12-19(23)14-20)15-24-26-22-25-21(16-28-22)18-9-6-5-7-10-18/h5-7,9-10,12-16H,2-4,8,11H2,1H3,(H,25,26)
InChIKeyHLAPXQSGYVAVOR-UHFFFAOYSA-N
XLogP6.35
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(3-fluoro-5-hexoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine 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-[(Z)-(4-hexoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 42337314
N-[(Z)-(4-pentoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 42336780
N-[(3-fluoro-5-hexoxyphenyl)methylideneamino]aniline
CID 169382049
N-[(3-fluoro-5-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577384
N-[(2-butoxy-3,5-difluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577219
N-[(3-fluoro-5-propoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617307
N-[[4-(pentoxymethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577123
N-[(Z)-(3-butoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 110533642
N-[(3,5-dimethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576843
N-[[4-(3-fluoropropoxy)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577436
N-[(Z)-(3-ethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 27277708
N-[(Z)-(4-butoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 110533621

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-5-hexoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(3-fluoro-5-hexoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine (CID 168577042) is N-[(3-fluoro-5-hexoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(3-fluoro-5-hexoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(3-fluoro-5-hexoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine is CCCCCCOc1cc(F)cc(C=NNc2nc(-c3ccccc3)cs2)c1.
What is the InChIKey of N-[(3-fluoro-5-hexoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is HLAPXQSGYVAVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3OS/c1-2-3-4-8-11-27-20-13-17(12-19(23)14-20)15-24-26-22-25-21(16-28-22)18-9-6-5-7-10-18/h5-7,9-10,12-16H,2-4,8,11H2,1H3,(H,25,26).
What are the key properties of N-[(3-fluoro-5-hexoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
N-[(3-fluoro-5-hexoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 397.52 g/mol, XLogP of 6.35, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-5-hexoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 168577042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).