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

C20H15FN4O2S — CID 7522147

IUPACN'-(2-cyanophenyl)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide
SMILESN#Cc1ccccc1NC(=O)C(=O)NCCc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H15FN4O2S/c21-15-7-5-13(6-8-15)20-24-16(12-28-20)9-10-23-18(26)19(27)25-17-4-2-1-3-14(17)11-22/h1-8,12H,9-10H2,(H,23,26)(H,25,27)
InChIKeySLCZXQWIUBQTNB-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.12
Rot. Bonds5

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

N'-(2-cyanophenyl)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide (PubChem CID 7522147) has the molecular formula C20H15FN4O2S and a molecular weight of 394.43 g/mol. Its IUPAC name is N'-(2-cyanophenyl)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(2-cyanophenyl)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide
PubChem CID7522147
Molecular FormulaC20H15FN4O2S
Molecular Weight394.43 g/mol
Exact Mass394.09
IUPAC NameN'-(2-cyanophenyl)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide
SMILESN#Cc1ccccc1NC(=O)C(=O)NCCc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H15FN4O2S/c21-15-7-5-13(6-8-15)20-24-16(12-28-20)9-10-23-18(26)19(27)25-17-4-2-1-3-14(17)11-22/h1-8,12H,9-10H2,(H,23,26)(H,25,27)
InChIKeySLCZXQWIUBQTNB-UHFFFAOYSA-N
XLogP3.12
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-cyanophenyl)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide?
The IUPAC name of N'-(2-cyanophenyl)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide (CID 7522147) is N'-(2-cyanophenyl)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide.
What is the SMILES notation for N'-(2-cyanophenyl)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide?
The canonical SMILES for N'-(2-cyanophenyl)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide is N#Cc1ccccc1NC(=O)C(=O)NCCc1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of N'-(2-cyanophenyl)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide?
The InChIKey is SLCZXQWIUBQTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2S/c21-15-7-5-13(6-8-15)20-24-16(12-28-20)9-10-23-18(26)19(27)25-17-4-2-1-3-14(17)11-22/h1-8,12H,9-10H2,(H,23,26)(H,25,27).
What are the key properties of N'-(2-cyanophenyl)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide?
N'-(2-cyanophenyl)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide has a molecular weight of 394.43 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyanophenyl)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide is sourced from PubChem (CID 7522147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).