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

C18H16FN3OS — CID 170909488

IUPAC(E)-N-[(E)-(2-fluorophenyl)methylideneamino]-4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-imine
SMILESCOc1ccc(-c2cs/c(=N\N=C\c3ccccc3F)n2C)cc1
InChIInChI=1S/C18H16FN3OS/c1-22-17(13-7-9-15(23-2)10-8-13)12-24-18(22)21-20-11-14-5-3-4-6-16(14)19/h3-12H,1-2H3/b20-11+,21-18-
InChIKeyJAKWNVRAYRFMAU-HVFCYKRDSA-N
MW341.41 g/mol
LogP3.84
Rot. Bonds4

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

(E)-N-[(E)-(2-fluorophenyl)methylideneamino]-4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-imine (PubChem CID 170909488) has the molecular formula C18H16FN3OS and a molecular weight of 341.41 g/mol. Its IUPAC name is (E)-N-[(E)-(2-fluorophenyl)methylideneamino]-4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(E)-N-[(E)-(2-fluorophenyl)methylideneamino]-4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-imine
PubChem CID170909488
Molecular FormulaC18H16FN3OS
Molecular Weight341.41 g/mol
Exact Mass341.10
IUPAC Name(E)-N-[(E)-(2-fluorophenyl)methylideneamino]-4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-imine
SMILESCOc1ccc(-c2cs/c(=N\N=C\c3ccccc3F)n2C)cc1
InChIInChI=1S/C18H16FN3OS/c1-22-17(13-7-9-15(23-2)10-8-13)12-24-18(22)21-20-11-14-5-3-4-6-16(14)19/h3-12H,1-2H3/b20-11+,21-18-
InChIKeyJAKWNVRAYRFMAU-HVFCYKRDSA-N
XLogP3.84
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-N-[(E)-(2-fluorophenyl)methylideneamino]-4-(4-methoxyphenyl)-3-methyl-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-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]hydrazine
CID 69115337
2-[(E)-[(Z)-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]-6-propylphenol
CID 137244941
(Z)-N-ethyl-3-[(Z)-(2-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-imine
CID 7959639
N-[(2,4-dimethoxyphenyl)methylideneamino]-4-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine
CID 71830947
3-methyl-4-(4-nitrophenyl)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 1498055
N,4-bis(4-fluorophenyl)-3-methyl-1,3-thiazol-2-imine
CID 142106070
4-(4-bromophenyl)-N-(3-methoxyphenyl)-3-methyl-1,3-thiazol-2-imine
CID 1371436
(Z)-4-(4-methoxyphenyl)-N-methyl-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
CID 9390315
4-(2-fluorophenyl)-N,3-dimethyl-1,3-thiazol-2-imine
CID 2438099
3-fluoro-2-(4-methoxyphenyl)benzaldehyde
CID 135055449
N,3-bis(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine
CID 3743621
(Z)-N-(2-methoxyethyl)-3-[(Z)-(4-methoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-imine
CID 7975500

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-(2-fluorophenyl)methylideneamino]-4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-imine?
The IUPAC name of (E)-N-[(E)-(2-fluorophenyl)methylideneamino]-4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-imine (CID 170909488) is (E)-N-[(E)-(2-fluorophenyl)methylideneamino]-4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-imine.
What is the SMILES notation for (E)-N-[(E)-(2-fluorophenyl)methylideneamino]-4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-imine?
The canonical SMILES for (E)-N-[(E)-(2-fluorophenyl)methylideneamino]-4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-imine is COc1ccc(-c2cs/c(=N\N=C\c3ccccc3F)n2C)cc1.
What is the InChIKey of (E)-N-[(E)-(2-fluorophenyl)methylideneamino]-4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-imine?
The InChIKey is JAKWNVRAYRFMAU-HVFCYKRDSA-N. The full InChI is InChI=1S/C18H16FN3OS/c1-22-17(13-7-9-15(23-2)10-8-13)12-24-18(22)21-20-11-14-5-3-4-6-16(14)19/h3-12H,1-2H3/b20-11+,21-18-.
What are the key properties of (E)-N-[(E)-(2-fluorophenyl)methylideneamino]-4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-imine?
(E)-N-[(E)-(2-fluorophenyl)methylideneamino]-4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-imine has a molecular weight of 341.41 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-(2-fluorophenyl)methylideneamino]-4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-imine is sourced from PubChem (CID 170909488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).