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

C13H12FN3O2S — CID 2266097

IUPACN-[2-(2-fluorophenyl)ethyl]-N'-(1,3-thiazol-2-yl)oxamide
SMILESO=C(NCCc1ccccc1F)C(=O)Nc1nccs1
InChIInChI=1S/C13H12FN3O2S/c14-10-4-2-1-3-9(10)5-6-15-11(18)12(19)17-13-16-7-8-20-13/h1-4,7-8H,5-6H2,(H,15,18)(H,16,17,19)
InChIKeyHNOMHKZEPHICMN-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.58
Rot. Bonds4

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

N-[2-(2-fluorophenyl)ethyl]-N'-(1,3-thiazol-2-yl)oxamide (PubChem CID 2266097) has the molecular formula C13H12FN3O2S and a molecular weight of 293.32 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-N'-(1,3-thiazol-2-yl)oxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-N'-(1,3-thiazol-2-yl)oxamide
PubChem CID2266097
Molecular FormulaC13H12FN3O2S
Molecular Weight293.32 g/mol
Exact Mass293.06
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-N'-(1,3-thiazol-2-yl)oxamide
SMILESO=C(NCCc1ccccc1F)C(=O)Nc1nccs1
InChIInChI=1S/C13H12FN3O2S/c14-10-4-2-1-3-9(10)5-6-15-11(18)12(19)17-13-16-7-8-20-13/h1-4,7-8H,5-6H2,(H,15,18)(H,16,17,19)
InChIKeyHNOMHKZEPHICMN-UHFFFAOYSA-N
XLogP1.58
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.58
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'-(2,6-difluorophenyl)-N-[2-(2-fluorophenyl)ethyl]oxamide
CID 108985302
N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-2-ylmethyl)oxamide
CID 108985064
N-[2-(2-fluorophenyl)ethyl]-N'-(2,3,4-trifluorophenyl)oxamide
CID 108985301
N'-[2,6-di(propan-2-yl)phenyl]-N-[2-(2-fluorophenyl)ethyl]oxamide
CID 108985279
N-[(2-methoxyphenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 2926552
N-(2,6-diethylphenyl)-N'-(1,3-thiazol-2-yl)oxamide
CID 108511411
methyl (2S)-3-(2-fluorophenyl)-2-(1,3-thiazol-2-ylcarbamothioylamino)propanoate
CID 22868893
N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide
CID 108985083
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
N-[2-(2-fluorophenyl)ethyl]-2-pyridin-2-ylacetamide
CID 110696924
3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
CID 110474816
N-[2-(2-fluorophenyl)ethyl]-N'-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108985263

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-N'-(1,3-thiazol-2-yl)oxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-N'-(1,3-thiazol-2-yl)oxamide (CID 2266097) is N-[2-(2-fluorophenyl)ethyl]-N'-(1,3-thiazol-2-yl)oxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-N'-(1,3-thiazol-2-yl)oxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-N'-(1,3-thiazol-2-yl)oxamide is O=C(NCCc1ccccc1F)C(=O)Nc1nccs1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-N'-(1,3-thiazol-2-yl)oxamide?
The InChIKey is HNOMHKZEPHICMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2S/c14-10-4-2-1-3-9(10)5-6-15-11(18)12(19)17-13-16-7-8-20-13/h1-4,7-8H,5-6H2,(H,15,18)(H,16,17,19).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-N'-(1,3-thiazol-2-yl)oxamide?
N-[2-(2-fluorophenyl)ethyl]-N'-(1,3-thiazol-2-yl)oxamide has a molecular weight of 293.32 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-N'-(1,3-thiazol-2-yl)oxamide is sourced from PubChem (CID 2266097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).