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

C20H18FN3O3S — CID 7216680

IUPACN-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(2-methoxyphenyl)oxamide
SMILESCOc1ccccc1NC(=O)C(=O)NCCc1csc(-c2cccc(F)c2)n1
InChIInChI=1S/C20H18FN3O3S/c1-27-17-8-3-2-7-16(17)24-19(26)18(25)22-10-9-15-12-28-20(23-15)13-5-4-6-14(21)11-13/h2-8,11-12H,9-10H2,1H3,(H,22,25)(H,24,26)
InChIKeyXGYRNWLNJMWVSX-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.26
Rot. Bonds6

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

N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(2-methoxyphenyl)oxamide (PubChem CID 7216680) has the molecular formula C20H18FN3O3S and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(2-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(2-methoxyphenyl)oxamide
PubChem CID7216680
Molecular FormulaC20H18FN3O3S
Molecular Weight399.45 g/mol
Exact Mass399.11
IUPAC NameN-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(2-methoxyphenyl)oxamide
SMILESCOc1ccccc1NC(=O)C(=O)NCCc1csc(-c2cccc(F)c2)n1
InChIInChI=1S/C20H18FN3O3S/c1-27-17-8-3-2-7-16(17)24-19(26)18(25)22-10-9-15-12-28-20(23-15)13-5-4-6-14(21)11-13/h2-8,11-12H,9-10H2,1H3,(H,22,25)(H,24,26)
InChIKeyXGYRNWLNJMWVSX-UHFFFAOYSA-N
XLogP3.26
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.26
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-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(2-methoxyphenyl)oxamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(2-methoxyphenyl)oxamide (CID 7216680) is N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(2-methoxyphenyl)oxamide.
What is the SMILES notation for N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(2-methoxyphenyl)oxamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(2-methoxyphenyl)oxamide is COc1ccccc1NC(=O)C(=O)NCCc1csc(-c2cccc(F)c2)n1.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(2-methoxyphenyl)oxamide?
The InChIKey is XGYRNWLNJMWVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3S/c1-27-17-8-3-2-7-16(17)24-19(26)18(25)22-10-9-15-12-28-20(23-15)13-5-4-6-14(21)11-13/h2-8,11-12H,9-10H2,1H3,(H,22,25)(H,24,26).
What are the key properties of N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(2-methoxyphenyl)oxamide?
N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(2-methoxyphenyl)oxamide has a molecular weight of 399.45 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 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-methoxyphenyl)oxamide is sourced from PubChem (CID 7216680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).