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

C21H19FN4O2S — CID 8882425

IUPACN-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
SMILESCC(=O)Nc1cccc(/C(C)=N\NC(=O)Cc2csc(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C21H19FN4O2S/c1-13(16-4-3-5-18(10-16)23-14(2)27)25-26-20(28)11-19-12-29-21(24-19)15-6-8-17(22)9-7-15/h3-10,12H,11H2,1-2H3,(H,23,27)(H,26,28)/b25-13-
InChIKeyZRNNGYJURQJWKH-MXAYSNPKSA-N
MW410.47 g/mol
LogP3.99
Rot. Bonds6

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

N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 8882425) has the molecular formula C21H19FN4O2S and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID8882425
Molecular FormulaC21H19FN4O2S
Molecular Weight410.47 g/mol
Exact Mass410.12
IUPAC NameN-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
SMILESCC(=O)Nc1cccc(/C(C)=N\NC(=O)Cc2csc(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C21H19FN4O2S/c1-13(16-4-3-5-18(10-16)23-14(2)27)25-26-20(28)11-19-12-29-21(24-19)15-6-8-17(22)9-7-15/h3-10,12H,11H2,1-2H3,(H,23,27)(H,26,28)/b25-13-
InChIKeyZRNNGYJURQJWKH-MXAYSNPKSA-N
XLogP3.99
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide
CID 8882089
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 135702470
2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 110342285
N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 8882627
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-thiophen-2-ylacetamide
CID 7516727
N-(3-acetamidophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46584283
N-[(Z)-(3-fluorophenyl)methylideneamino]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 8882365
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]acetamide
CID 8882713
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 115089550
N-(3,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 8572766
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(3-methoxyphenyl)acetamide
CID 17443007
2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-butylacetamide
CID 110342257

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide (CID 8882425) is N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide is CC(=O)Nc1cccc(/C(C)=N\NC(=O)Cc2csc(-c3ccc(F)cc3)n2)c1.
What is the InChIKey of N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is ZRNNGYJURQJWKH-MXAYSNPKSA-N. The full InChI is InChI=1S/C21H19FN4O2S/c1-13(16-4-3-5-18(10-16)23-14(2)27)25-26-20(28)11-19-12-29-21(24-19)15-6-8-17(22)9-7-15/h3-10,12H,11H2,1-2H3,(H,23,27)(H,26,28)/b25-13-.
What are the key properties of N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide?
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 410.47 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 8882425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).