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

C20H16F3N3O2S — CID 20965717

IUPACN'-(2,4-difluorophenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide
SMILESCc1nc(-c2cccc(F)c2)sc1CCNC(=O)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C20H16F3N3O2S/c1-11-17(29-20(25-11)12-3-2-4-13(21)9-12)7-8-24-18(27)19(28)26-16-6-5-14(22)10-15(16)23/h2-6,9-10H,7-8H2,1H3,(H,24,27)(H,26,28)
InChIKeyKMEPSPXYSQOKSG-UHFFFAOYSA-N
MW419.43 g/mol
LogP3.83
Rot. Bonds5

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

N'-(2,4-difluorophenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide (PubChem CID 20965717) has the molecular formula C20H16F3N3O2S and a molecular weight of 419.43 g/mol. Its IUPAC name is N'-(2,4-difluorophenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(2,4-difluorophenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide
PubChem CID20965717
Molecular FormulaC20H16F3N3O2S
Molecular Weight419.43 g/mol
Exact Mass419.09
IUPAC NameN'-(2,4-difluorophenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide
SMILESCc1nc(-c2cccc(F)c2)sc1CCNC(=O)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C20H16F3N3O2S/c1-11-17(29-20(25-11)12-3-2-4-13(21)9-12)7-8-24-18(27)19(28)26-16-6-5-14(22)10-15(16)23/h2-6,9-10H,7-8H2,1H3,(H,24,27)(H,26,28)
InChIKeyKMEPSPXYSQOKSG-UHFFFAOYSA-N
XLogP3.83
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-acetamidophenyl)-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide
CID 27460897
N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]cyclopentanecarboxamide
CID 7518160
N'-(3-methylphenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide
CID 7222821
N'-(2,6-dimethylphenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide
CID 7222838
N'-(3,5-dimethylphenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide
CID 7222822
4-fluoro-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
CID 7518293
N'-(2-cyanophenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide
CID 7222824
N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpropane-1-sulfonamide
CID 7518305
N'-(2,4-difluorophenyl)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide
CID 7522151
N'-(2,4-difluorophenyl)-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 7292792
2-fluoro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide
CID 7503026
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-(3,5-dimethylphenyl)oxamide
CID 20965682

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-difluorophenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide?
The IUPAC name of N'-(2,4-difluorophenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide (CID 20965717) is N'-(2,4-difluorophenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide.
What is the SMILES notation for N'-(2,4-difluorophenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide?
The canonical SMILES for N'-(2,4-difluorophenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide is Cc1nc(-c2cccc(F)c2)sc1CCNC(=O)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N'-(2,4-difluorophenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide?
The InChIKey is KMEPSPXYSQOKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2S/c1-11-17(29-20(25-11)12-3-2-4-13(21)9-12)7-8-24-18(27)19(28)26-16-6-5-14(22)10-15(16)23/h2-6,9-10H,7-8H2,1H3,(H,24,27)(H,26,28).
What are the key properties of N'-(2,4-difluorophenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide?
N'-(2,4-difluorophenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide has a molecular weight of 419.43 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-difluorophenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide is sourced from PubChem (CID 20965717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).