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

C18H14FN3OS — CID 139238045

IUPACN-[(3-fluorophenyl)methylideneamino]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccccc2)n1)NN=Cc1cccc(F)c1
InChIInChI=1S/C18H14FN3OS/c19-15-8-4-5-13(9-15)11-20-22-17(23)10-16-12-24-18(21-16)14-6-2-1-3-7-14/h1-9,11-12H,10H2,(H,22,23)
InChIKeyUJWAHKOYGKNGKI-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.64
Rot. Bonds5

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

N-[(3-fluorophenyl)methylideneamino]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (PubChem CID 139238045) has the molecular formula C18H14FN3OS and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methylideneamino]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methylideneamino]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
PubChem CID139238045
Molecular FormulaC18H14FN3OS
Molecular Weight339.40 g/mol
Exact Mass339.08
IUPAC NameN-[(3-fluorophenyl)methylideneamino]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccccc2)n1)NN=Cc1cccc(F)c1
InChIInChI=1S/C18H14FN3OS/c19-15-8-4-5-13(9-15)11-20-22-17(23)10-16-12-24-18(21-16)14-6-2-1-3-7-14/h1-9,11-12H,10H2,(H,22,23)
InChIKeyUJWAHKOYGKNGKI-UHFFFAOYSA-N
XLogP3.64
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.64
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-[(Z)-(3-fluorophenyl)methylideneamino]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 8882365
N-[(2-fluorophenyl)methylideneamino]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 139238044
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-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
CID 135689827
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
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 78791822
2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(3-phenoxyphenyl)methylideneamino]acetamide
CID 110337161
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide
CID 8882609

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methylideneamino]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(3-fluorophenyl)methylideneamino]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (CID 139238045) is N-[(3-fluorophenyl)methylideneamino]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(3-fluorophenyl)methylideneamino]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(3-fluorophenyl)methylideneamino]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2ccccc2)n1)NN=Cc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methylideneamino]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is UJWAHKOYGKNGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3OS/c19-15-8-4-5-13(9-15)11-20-22-17(23)10-16-12-24-18(21-16)14-6-2-1-3-7-14/h1-9,11-12H,10H2,(H,22,23).
What are the key properties of N-[(3-fluorophenyl)methylideneamino]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
N-[(3-fluorophenyl)methylideneamino]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 339.40 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methylideneamino]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 139238045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).