N-[(Z)-(3-fluorophenyl)methylideneamino]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide

C18H13F2N3OS — CID 8882365

IUPACN-[(Z)-(3-fluorophenyl)methylideneamino]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(-c2ccc(F)cc2)n1)N/N=C\c1cccc(F)c1
InChIInChI=1S/C18H13F2N3OS/c19-14-6-4-13(5-7-14)18-22-16(11-25-18)9-17(24)23-21-10-12-2-1-3-15(20)8-12/h1-8,10-11H,9H2,(H,23,24)/b21-10-
InChIKeyFKGANYWWEQSOBJ-FBHDLOMBSA-N
MW357.39 g/mol
LogP3.78
Rot. Bonds5

About N-[(Z)-(3-fluorophenyl)methylideneamino]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide

N-[(Z)-(3-fluorophenyl)methylideneamino]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 8882365) has the molecular formula C18H13F2N3OS and a molecular weight of 357.39 g/mol. Its IUPAC name is N-[(Z)-(3-fluorophenyl)methylideneamino]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(Z)-(3-fluorophenyl)methylideneamino]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID8882365
Molecular FormulaC18H13F2N3OS
Molecular Weight357.39 g/mol
Exact Mass357.07
IUPAC NameN-[(Z)-(3-fluorophenyl)methylideneamino]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(-c2ccc(F)cc2)n1)N/N=C\c1cccc(F)c1
InChIInChI=1S/C18H13F2N3OS/c19-14-6-4-13(5-7-14)18-22-16(11-25-18)9-17(24)23-21-10-12-2-1-3-15(20)8-12/h1-8,10-11H,9H2,(H,23,24)/b21-10-
InChIKeyFKGANYWWEQSOBJ-FBHDLOMBSA-N
XLogP3.78
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-fluorophenyl)methylideneamino]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 139238045
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 8882699
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 8882743
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135702473
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide
CID 135702498
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]acetamide
CID 8882713
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide
CID 8882609
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
CID 135689827
N-[(2-fluorophenyl)methylideneamino]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 139238044
N-[(E)-[3-[[2-(4-bromophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methylideneamino]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 51040617
N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 8882780
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 8882425

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-fluorophenyl)methylideneamino]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[(Z)-(3-fluorophenyl)methylideneamino]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide (CID 8882365) is N-[(Z)-(3-fluorophenyl)methylideneamino]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[(Z)-(3-fluorophenyl)methylideneamino]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[(Z)-(3-fluorophenyl)methylideneamino]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(-c2ccc(F)cc2)n1)N/N=C\c1cccc(F)c1.
What is the InChIKey of N-[(Z)-(3-fluorophenyl)methylideneamino]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is FKGANYWWEQSOBJ-FBHDLOMBSA-N. The full InChI is InChI=1S/C18H13F2N3OS/c19-14-6-4-13(5-7-14)18-22-16(11-25-18)9-17(24)23-21-10-12-2-1-3-15(20)8-12/h1-8,10-11H,9H2,(H,23,24)/b21-10-.
What are the key properties of N-[(Z)-(3-fluorophenyl)methylideneamino]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide?
N-[(Z)-(3-fluorophenyl)methylideneamino]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 357.39 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-fluorophenyl)methylideneamino]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 8882365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).