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

C19H15FN4O4S — CID 7518590

IUPACN-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(2-nitrophenyl)oxamide
SMILESO=C(NCCc1csc(-c2cccc(F)c2)n1)C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H15FN4O4S/c20-13-5-3-4-12(10-13)19-22-14(11-29-19)8-9-21-17(25)18(26)23-15-6-1-2-7-16(15)24(27)28/h1-7,10-11H,8-9H2,(H,21,25)(H,23,26)
InChIKeyDOPOIQQBYSUFSG-UHFFFAOYSA-N
MW414.42 g/mol
LogP3.15
Rot. Bonds6

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

N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(2-nitrophenyl)oxamide (PubChem CID 7518590) has the molecular formula C19H15FN4O4S and a molecular weight of 414.42 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(2-nitrophenyl)oxamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(2-nitrophenyl)oxamide
PubChem CID7518590
Molecular FormulaC19H15FN4O4S
Molecular Weight414.42 g/mol
Exact Mass414.08
IUPAC NameN-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(2-nitrophenyl)oxamide
SMILESO=C(NCCc1csc(-c2cccc(F)c2)n1)C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H15FN4O4S/c20-13-5-3-4-12(10-13)19-22-14(11-29-19)8-9-21-17(25)18(26)23-15-6-1-2-7-16(15)24(27)28/h1-7,10-11H,8-9H2,(H,21,25)(H,23,26)
InChIKeyDOPOIQQBYSUFSG-UHFFFAOYSA-N
XLogP3.15
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-nitrobenzamide
CID 7518536
N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4,5-dimethoxy-2-nitrobenzamide
CID 18565228
N'-(2,4-difluorophenyl)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide
CID 7522151
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-phenyloxamide
CID 7522158
N'-(2-ethylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide
CID 7287568
5-bromo-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide
CID 7216624
3-fluoro-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 110317449
2-(4-chlorophenoxy)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 7216597
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-nitrobenzamide
CID 7216589
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)acetamide
CID 78823529
methyl 3-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]propanoate
CID 107039584
1-(2-chloro-4-fluorophenyl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea
CID 78894091

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(2-nitrophenyl)oxamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(2-nitrophenyl)oxamide (CID 7518590) is N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(2-nitrophenyl)oxamide.
What is the SMILES notation for N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(2-nitrophenyl)oxamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(2-nitrophenyl)oxamide is O=C(NCCc1csc(-c2cccc(F)c2)n1)C(=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(2-nitrophenyl)oxamide?
The InChIKey is DOPOIQQBYSUFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O4S/c20-13-5-3-4-12(10-13)19-22-14(11-29-19)8-9-21-17(25)18(26)23-15-6-1-2-7-16(15)24(27)28/h1-7,10-11H,8-9H2,(H,21,25)(H,23,26).
What are the key properties of N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(2-nitrophenyl)oxamide?
N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(2-nitrophenyl)oxamide has a molecular weight of 414.42 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(2-nitrophenyl)oxamide is sourced from PubChem (CID 7518590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).