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

C19H16FN3O2S — CID 7522158

IUPACN-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-phenyloxamide
SMILESO=C(NCCc1csc(-c2ccc(F)cc2)n1)C(=O)Nc1ccccc1
InChIInChI=1S/C19H16FN3O2S/c20-14-8-6-13(7-9-14)19-23-16(12-26-19)10-11-21-17(24)18(25)22-15-4-2-1-3-5-15/h1-9,12H,10-11H2,(H,21,24)(H,22,25)
InChIKeyMTQWSKJVQOTXNM-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.25
Rot. Bonds5

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

N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-phenyloxamide (PubChem CID 7522158) has the molecular formula C19H16FN3O2S and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-phenyloxamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-phenyloxamide
PubChem CID7522158
Molecular FormulaC19H16FN3O2S
Molecular Weight369.42 g/mol
Exact Mass369.09
IUPAC NameN-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-phenyloxamide
SMILESO=C(NCCc1csc(-c2ccc(F)cc2)n1)C(=O)Nc1ccccc1
InChIInChI=1S/C19H16FN3O2S/c20-14-8-6-13(7-9-14)19-23-16(12-26-19)10-11-21-17(24)18(25)22-15-4-2-1-3-5-15/h1-9,12H,10-11H2,(H,21,24)(H,22,25)
InChIKeyMTQWSKJVQOTXNM-UHFFFAOYSA-N
XLogP3.25
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.25
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'-(4-methylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide
CID 7287534
N'-(2,4-difluorophenyl)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide
CID 7522151
N'-tert-butyl-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide
CID 7522183
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-phenylpropanamide
CID 7522122
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(4-methylphenyl)oxamide
CID 7216639
N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-N'-phenyloxamide
CID 7216247
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
CID 7518407
N'-(2-ethylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide
CID 7287568
methyl 4-[[2-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethylamino]-2-oxoacetyl]amino]benzoate
CID 20965753
N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 110351882
1-(2-chloro-4-fluorophenyl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea
CID 78894091
N-[2-(2-fluorophenyl)ethyl]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 9490539

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-phenyloxamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-phenyloxamide (CID 7522158) is N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-phenyloxamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-phenyloxamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-phenyloxamide is O=C(NCCc1csc(-c2ccc(F)cc2)n1)C(=O)Nc1ccccc1.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-phenyloxamide?
The InChIKey is MTQWSKJVQOTXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2S/c20-14-8-6-13(7-9-14)19-23-16(12-26-19)10-11-21-17(24)18(25)22-15-4-2-1-3-5-15/h1-9,12H,10-11H2,(H,21,24)(H,22,25).
What are the key properties of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-phenyloxamide?
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-phenyloxamide has a molecular weight of 369.42 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-phenyloxamide is sourced from PubChem (CID 7522158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).