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

C19H14F3N3O2S — CID 7216698

IUPACN'-(2,5-difluorophenyl)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide
SMILESO=C(NCCc1csc(-c2cccc(F)c2)n1)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C19H14F3N3O2S/c20-12-3-1-2-11(8-12)19-24-14(10-28-19)6-7-23-17(26)18(27)25-16-9-13(21)4-5-15(16)22/h1-5,8-10H,6-7H2,(H,23,26)(H,25,27)
InChIKeyUFNZFBOIEQJTFC-UHFFFAOYSA-N
MW405.40 g/mol
LogP3.52
Rot. Bonds5

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

N'-(2,5-difluorophenyl)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide (PubChem CID 7216698) has the molecular formula C19H14F3N3O2S and a molecular weight of 405.40 g/mol. Its IUPAC name is N'-(2,5-difluorophenyl)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(2,5-difluorophenyl)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide
PubChem CID7216698
Molecular FormulaC19H14F3N3O2S
Molecular Weight405.40 g/mol
Exact Mass405.08
IUPAC NameN'-(2,5-difluorophenyl)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide
SMILESO=C(NCCc1csc(-c2cccc(F)c2)n1)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C19H14F3N3O2S/c20-12-3-1-2-11(8-12)19-24-14(10-28-19)6-7-23-17(26)18(27)25-16-9-13(21)4-5-15(16)22/h1-5,8-10H,6-7H2,(H,23,26)(H,25,27)
InChIKeyUFNZFBOIEQJTFC-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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Frequently Asked Questions

What is the IUPAC name of N'-(2,5-difluorophenyl)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide?
The IUPAC name of N'-(2,5-difluorophenyl)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide (CID 7216698) is N'-(2,5-difluorophenyl)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide.
What is the SMILES notation for N'-(2,5-difluorophenyl)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide?
The canonical SMILES for N'-(2,5-difluorophenyl)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide is O=C(NCCc1csc(-c2cccc(F)c2)n1)C(=O)Nc1cc(F)ccc1F.
What is the InChIKey of N'-(2,5-difluorophenyl)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide?
The InChIKey is UFNZFBOIEQJTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2S/c20-12-3-1-2-11(8-12)19-24-14(10-28-19)6-7-23-17(26)18(27)25-16-9-13(21)4-5-15(16)22/h1-5,8-10H,6-7H2,(H,23,26)(H,25,27).
What are the key properties of N'-(2,5-difluorophenyl)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide?
N'-(2,5-difluorophenyl)-N-[2-[2-(3-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'-(2,5-difluorophenyl)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide is sourced from PubChem (CID 7216698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).