N'-(3-acetamidophenyl)-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide

C22H21FN4O3S — CID 27460897

IUPACN'-(3-acetamidophenyl)-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide
SMILESCC(=O)Nc1cccc(NC(=O)C(=O)NCCc2sc(-c3ccc(F)cc3)nc2C)c1
InChIInChI=1S/C22H21FN4O3S/c1-13-19(31-22(25-13)15-6-8-16(23)9-7-15)10-11-24-20(29)21(30)27-18-5-3-4-17(12-18)26-14(2)28/h3-9,12H,10-11H2,1-2H3,(H,24,29)(H,26,28)(H,27,30)
InChIKeyAAANBDONCUXCJE-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.51
Rot. Bonds6

About N'-(3-acetamidophenyl)-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide

N'-(3-acetamidophenyl)-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide (PubChem CID 27460897) has the molecular formula C22H21FN4O3S and a molecular weight of 440.50 g/mol. Its IUPAC name is N'-(3-acetamidophenyl)-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(3-acetamidophenyl)-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide
PubChem CID27460897
Molecular FormulaC22H21FN4O3S
Molecular Weight440.50 g/mol
Exact Mass440.13
IUPAC NameN'-(3-acetamidophenyl)-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide
SMILESCC(=O)Nc1cccc(NC(=O)C(=O)NCCc2sc(-c3ccc(F)cc3)nc2C)c1
InChIInChI=1S/C22H21FN4O3S/c1-13-19(31-22(25-13)15-6-8-16(23)9-7-15)10-11-24-20(29)21(30)27-18-5-3-4-17(12-18)26-14(2)28/h3-9,12H,10-11H2,1-2H3,(H,24,29)(H,26,28)(H,27,30)
InChIKeyAAANBDONCUXCJE-UHFFFAOYSA-N
XLogP3.51
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(3-methylphenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide
CID 7222821
N'-(3,5-dimethylphenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide
CID 7222822
N'-(2,4-difluorophenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide
CID 20965717
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-(3,5-dimethylphenyl)oxamide
CID 20965682
N'-(3-acetamidophenyl)-N-[2-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethyl]oxamide
CID 171505794
N'-(3,5-dimethylphenyl)-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide
CID 7222985
2-fluoro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide
CID 7503026
N'-(2,6-dimethylphenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide
CID 7222838
N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylbenzamide
CID 7503031
N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]cyclopropanecarboxamide
CID 7518071
N-(3-acetamidophenyl)-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide
CID 110329572
[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl-[2-(3-formamidoanilino)-2-oxoacetyl]amino]methyl dihydrogen phosphate
CID 174325137

Frequently Asked Questions

What is the IUPAC name of N'-(3-acetamidophenyl)-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide?
The IUPAC name of N'-(3-acetamidophenyl)-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide (CID 27460897) is N'-(3-acetamidophenyl)-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide.
What is the SMILES notation for N'-(3-acetamidophenyl)-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide?
The canonical SMILES for N'-(3-acetamidophenyl)-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide is CC(=O)Nc1cccc(NC(=O)C(=O)NCCc2sc(-c3ccc(F)cc3)nc2C)c1.
What is the InChIKey of N'-(3-acetamidophenyl)-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide?
The InChIKey is AAANBDONCUXCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O3S/c1-13-19(31-22(25-13)15-6-8-16(23)9-7-15)10-11-24-20(29)21(30)27-18-5-3-4-17(12-18)26-14(2)28/h3-9,12H,10-11H2,1-2H3,(H,24,29)(H,26,28)(H,27,30).
What are the key properties of N'-(3-acetamidophenyl)-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide?
N'-(3-acetamidophenyl)-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide has a molecular weight of 440.50 g/mol, XLogP of 3.51, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-acetamidophenyl)-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide is sourced from PubChem (CID 27460897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).