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

C19H14F3N3O2S — CID 7522151

IUPACN'-(2,4-difluorophenyl)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide
SMILESO=C(NCCc1csc(-c2ccc(F)cc2)n1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C19H14F3N3O2S/c20-12-3-1-11(2-4-12)19-24-14(10-28-19)7-8-23-17(26)18(27)25-16-6-5-13(21)9-15(16)22/h1-6,9-10H,7-8H2,(H,23,26)(H,25,27)
InChIKeyXGOOPXMJMJFMPE-UHFFFAOYSA-N
MW405.40 g/mol
LogP3.52
Rot. Bonds5

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

N'-(2,4-difluorophenyl)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide (PubChem CID 7522151) has the molecular formula C19H14F3N3O2S and a molecular weight of 405.40 g/mol. Its IUPAC name is N'-(2,4-difluorophenyl)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(2,4-difluorophenyl)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide
PubChem CID7522151
Molecular FormulaC19H14F3N3O2S
Molecular Weight405.40 g/mol
Exact Mass405.08
IUPAC NameN'-(2,4-difluorophenyl)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide
SMILESO=C(NCCc1csc(-c2ccc(F)cc2)n1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C19H14F3N3O2S/c20-12-3-1-11(2-4-12)19-24-14(10-28-19)7-8-23-17(26)18(27)25-16-6-5-13(21)9-15(16)22/h1-6,9-10H,7-8H2,(H,23,26)(H,25,27)
InChIKeyXGOOPXMJMJFMPE-UHFFFAOYSA-N
XLogP3.52
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 53.52
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-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-phenyloxamide
CID 7522158
N'-tert-butyl-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide
CID 7522183
N'-(2,4-difluorophenyl)-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 7292792
N'-(5-chloro-2-methylphenyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]oxamide
CID 26843117
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
CID 7518407
N'-(4-methylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide
CID 7287534
N'-(2,4-difluorophenyl)-N-[2-[2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide
CID 18564699
1-(2-chloro-4-fluorophenyl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea
CID 78894091
N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(2-nitrophenyl)oxamide
CID 7518590
N'-(2-ethylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide
CID 7287568
2,4-dichloro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7518421
N-[2-(4-chlorophenyl)ethyl]-N'-(2,4-difluorophenyl)oxamide
CID 7541504

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-difluorophenyl)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide?
The IUPAC name of N'-(2,4-difluorophenyl)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide (CID 7522151) is N'-(2,4-difluorophenyl)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide.
What is the SMILES notation for N'-(2,4-difluorophenyl)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide?
The canonical SMILES for N'-(2,4-difluorophenyl)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide is O=C(NCCc1csc(-c2ccc(F)cc2)n1)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N'-(2,4-difluorophenyl)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide?
The InChIKey is XGOOPXMJMJFMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2S/c20-12-3-1-11(2-4-12)19-24-14(10-28-19)7-8-23-17(26)18(27)25-16-6-5-13(21)9-15(16)22/h1-6,9-10H,7-8H2,(H,23,26)(H,25,27).
What are the key properties of N'-(2,4-difluorophenyl)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide?
N'-(2,4-difluorophenyl)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide has a molecular weight of 405.40 g/mol, XLogP of 3.52, 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-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide is sourced from PubChem (CID 7522151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).