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

C20H15FN4O2S — CID 7216670

IUPACN'-(2-cyanophenyl)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide
SMILESN#Cc1ccccc1NC(=O)C(=O)NCCc1csc(-c2cccc(F)c2)n1
InChIInChI=1S/C20H15FN4O2S/c21-15-6-3-5-13(10-15)20-24-16(12-28-20)8-9-23-18(26)19(27)25-17-7-2-1-4-14(17)11-22/h1-7,10,12H,8-9H2,(H,23,26)(H,25,27)
InChIKeyHFLZXVMRYLUBBD-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.12
Rot. Bonds5

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

N'-(2-cyanophenyl)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide (PubChem CID 7216670) has the molecular formula C20H15FN4O2S and a molecular weight of 394.43 g/mol. Its IUPAC name is N'-(2-cyanophenyl)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(2-cyanophenyl)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide
PubChem CID7216670
Molecular FormulaC20H15FN4O2S
Molecular Weight394.43 g/mol
Exact Mass394.09
IUPAC NameN'-(2-cyanophenyl)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide
SMILESN#Cc1ccccc1NC(=O)C(=O)NCCc1csc(-c2cccc(F)c2)n1
InChIInChI=1S/C20H15FN4O2S/c21-15-6-3-5-13(10-15)20-24-16(12-28-20)8-9-23-18(26)19(27)25-17-7-2-1-4-14(17)11-22/h1-7,10,12H,8-9H2,(H,23,26)(H,25,27)
InChIKeyHFLZXVMRYLUBBD-UHFFFAOYSA-N
XLogP3.12
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-Cyano-3-(thiazol-4-yl)thiophen-2-yl)-2-(2-oxo-6-(trifluoromethyl)quinolin-1 (2H)yl)acetamide
CID 56665093
2-[4-(2-Benzyl)piperazine-1-yl]-N-[4-(2-methylthiazol-4-yl)phenyl]acetamide (5o)
CID 73443010
N-(2,4-difluorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 1486906
N1-(2,5-dimethylphenyl)-N2-(2-(2-(3-fluorophenyl)thiazol-4-yl)ethyl)oxalamide
CID 7216690
N'-(2,6-Dimethylphenyl)-N-{2-[2-(4-methylphenyl)-1,3-thiazol-4-YL]ethyl}ethanediamide
CID 7287552
N1-(3-chloro-4-fluorophenyl)-N2-(2-(4-methyl-2-phenylthiazol-5-yl)ethyl)oxalamide
CID 16031938
N1-(3-acetamidophenyl)-N2-(2-(4-methyl-2-phenylthiazol-5-yl)ethyl)oxalamide
CID 16031939
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 24979766
N-[(3,4-difluorophenyl)-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 46942841
4-[(3,4-difluorophenyl)methyl]-N-[[4-(dimethylamino)phenyl]methyl]-1,3-thiazole-2-carboxamide
CID 145966135
2-benzyl-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 3783920
N,2-diphenyl-1,3-thiazole-4-carboxamide
CID 2744457

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyanophenyl)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide?
The IUPAC name of N'-(2-cyanophenyl)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide (CID 7216670) is N'-(2-cyanophenyl)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide.
What is the SMILES notation for N'-(2-cyanophenyl)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide?
The canonical SMILES for N'-(2-cyanophenyl)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide is N#Cc1ccccc1NC(=O)C(=O)NCCc1csc(-c2cccc(F)c2)n1.
What is the InChIKey of N'-(2-cyanophenyl)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide?
The InChIKey is HFLZXVMRYLUBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2S/c21-15-6-3-5-13(10-15)20-24-16(12-28-20)8-9-23-18(26)19(27)25-17-7-2-1-4-14(17)11-22/h1-7,10,12H,8-9H2,(H,23,26)(H,25,27).
What are the key properties of N'-(2-cyanophenyl)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide?
N'-(2-cyanophenyl)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide has a molecular weight of 394.43 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyanophenyl)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide is sourced from PubChem (CID 7216670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).