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

C20H18FN3OS — CID 8882089

IUPAC2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)Cc1csc(-c2ccc(F)cc2)n1)c1ccc(C)cc1
InChIInChI=1S/C20H18FN3OS/c1-13-3-5-15(6-4-13)14(2)23-24-19(25)11-18-12-26-20(22-18)16-7-9-17(21)10-8-16/h3-10,12H,11H2,1-2H3,(H,24,25)/b23-14-
InChIKeyLFUMEIZYCDHZGR-UCQKPKSFSA-N
MW367.45 g/mol
LogP4.34
Rot. Bonds5

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

2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide (PubChem CID 8882089) has the molecular formula C20H18FN3OS and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide
PubChem CID8882089
Molecular FormulaC20H18FN3OS
Molecular Weight367.45 g/mol
Exact Mass367.12
IUPAC Name2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)Cc1csc(-c2ccc(F)cc2)n1)c1ccc(C)cc1
InChIInChI=1S/C20H18FN3OS/c1-13-3-5-15(6-4-13)14(2)23-24-19(25)11-18-12-26-20(22-18)16-7-9-17(21)10-8-16/h3-10,12H,11H2,1-2H3,(H,24,25)/b23-14-
InChIKeyLFUMEIZYCDHZGR-UCQKPKSFSA-N
XLogP4.34
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.34
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

2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 135702470
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 8882425
N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 8882627
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 115089550
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]acetamide
CID 8882713
N-[(Z)-1-(4-methylphenyl)propylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9463729
2-(4-fluorophenyl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 135472799
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide
CID 8882439
(3R)-4,4,4-trifluoro-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-hydroxy-3-methylbutanehydrazide
CID 9076206
2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(4-nitrophenyl)ethylideneamino]acetamide
CID 4018140
N-[(Z)-(3-fluorophenyl)methylideneamino]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 8882365
N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 51603172

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide (CID 8882089) is 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide is C/C(=N/NC(=O)Cc1csc(-c2ccc(F)cc2)n1)c1ccc(C)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide?
The InChIKey is LFUMEIZYCDHZGR-UCQKPKSFSA-N. The full InChI is InChI=1S/C20H18FN3OS/c1-13-3-5-15(6-4-13)14(2)23-24-19(25)11-18-12-26-20(22-18)16-7-9-17(21)10-8-16/h3-10,12H,11H2,1-2H3,(H,24,25)/b23-14-.
What are the key properties of 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide?
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide has a molecular weight of 367.45 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 8882089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).