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

C19H15FN4O4S — CID 7287573

IUPACN-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(4-nitrophenyl)oxamide
SMILESO=C(NCCc1csc(-c2ccc(F)cc2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H15FN4O4S/c20-13-3-1-12(2-4-13)19-23-15(11-29-19)9-10-21-17(25)18(26)22-14-5-7-16(8-6-14)24(27)28/h1-8,11H,9-10H2,(H,21,25)(H,22,26)
InChIKeyCZVVHFAOHLALGK-UHFFFAOYSA-N
MW414.42 g/mol
LogP3.15
Rot. Bonds6

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

N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(4-nitrophenyl)oxamide (PubChem CID 7287573) has the molecular formula C19H15FN4O4S and a molecular weight of 414.42 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(4-nitrophenyl)oxamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(4-nitrophenyl)oxamide
PubChem CID7287573
Molecular FormulaC19H15FN4O4S
Molecular Weight414.42 g/mol
Exact Mass414.08
IUPAC NameN-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(4-nitrophenyl)oxamide
SMILESO=C(NCCc1csc(-c2ccc(F)cc2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H15FN4O4S/c20-13-3-1-12(2-4-13)19-23-15(11-29-19)9-10-21-17(25)18(26)22-14-5-7-16(8-6-14)24(27)28/h1-8,11H,9-10H2,(H,21,25)(H,22,26)
InChIKeyCZVVHFAOHLALGK-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

2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-N-phenylacetamide
CID 972919
N-(2,4-difluorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 1486906
N-(3-nitrophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2574351
N-(2-nitrophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 4783834
N1-(2,5-dimethylphenyl)-N2-(2-(2-(3-fluorophenyl)thiazol-4-yl)ethyl)oxalamide
CID 7216690
N'-(2,6-Dimethylphenyl)-N-{2-[2-(4-methylphenyl)-1,3-thiazol-4-YL]ethyl}ethanediamide
CID 7287552
N1-(3-acetamidophenyl)-N2-(2-(4-methyl-2-phenylthiazol-5-yl)ethyl)oxalamide
CID 16031939
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 24979766
N-[2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]-3-nitrobenzamide
CID 127045640
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]-3-nitrobenzamide
CID 127046772
N-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]-3-nitrobenzamide
CID 127048157
2-[4-(4-Florophenyl)piperazine-1-yl]-4-[4-(2-methylthiazol-4-yl)phenyl]acetamide (5h)
CID 129625899

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(4-nitrophenyl)oxamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(4-nitrophenyl)oxamide (CID 7287573) is N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(4-nitrophenyl)oxamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(4-nitrophenyl)oxamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(4-nitrophenyl)oxamide is O=C(NCCc1csc(-c2ccc(F)cc2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(4-nitrophenyl)oxamide?
The InChIKey is CZVVHFAOHLALGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O4S/c20-13-3-1-12(2-4-13)19-23-15(11-29-19)9-10-21-17(25)18(26)22-14-5-7-16(8-6-14)24(27)28/h1-8,11H,9-10H2,(H,21,25)(H,22,26).
What are the key properties of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(4-nitrophenyl)oxamide?
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(4-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-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(4-nitrophenyl)oxamide is sourced from PubChem (CID 7287573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).