N'-(2-fluorophenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide

C21H20FN3O2S — CID 7223012

IUPACN'-(2-fluorophenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide
SMILESCc1cccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3ccccc3F)s2)c1
InChIInChI=1S/C21H20FN3O2S/c1-13-6-5-7-15(12-13)21-24-14(2)18(28-21)10-11-23-19(26)20(27)25-17-9-4-3-8-16(17)22/h3-9,12H,10-11H2,1-2H3,(H,23,26)(H,25,27)
InChIKeyBGLTYXDFLAQSIW-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.86
Rot. Bonds5

About N'-(2-fluorophenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide

N'-(2-fluorophenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide (PubChem CID 7223012) has the molecular formula C21H20FN3O2S and a molecular weight of 397.48 g/mol. Its IUPAC name is N'-(2-fluorophenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(2-fluorophenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide
PubChem CID7223012
Molecular FormulaC21H20FN3O2S
Molecular Weight397.48 g/mol
Exact Mass397.13
IUPAC NameN'-(2-fluorophenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide
SMILESCc1cccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3ccccc3F)s2)c1
InChIInChI=1S/C21H20FN3O2S/c1-13-6-5-7-15(12-13)21-24-14(2)18(28-21)10-11-23-19(26)20(27)25-17-9-4-3-8-16(17)22/h3-9,12H,10-11H2,1-2H3,(H,23,26)(H,25,27)
InChIKeyBGLTYXDFLAQSIW-UHFFFAOYSA-N
XLogP3.86
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-fluorophenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide?
The IUPAC name of N'-(2-fluorophenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide (CID 7223012) is N'-(2-fluorophenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide.
What is the SMILES notation for N'-(2-fluorophenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide?
The canonical SMILES for N'-(2-fluorophenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide is Cc1cccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3ccccc3F)s2)c1.
What is the InChIKey of N'-(2-fluorophenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide?
The InChIKey is BGLTYXDFLAQSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2S/c1-13-6-5-7-15(12-13)21-24-14(2)18(28-21)10-11-23-19(26)20(27)25-17-9-4-3-8-16(17)22/h3-9,12H,10-11H2,1-2H3,(H,23,26)(H,25,27).
What are the key properties of N'-(2-fluorophenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide?
N'-(2-fluorophenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide has a molecular weight of 397.48 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorophenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide is sourced from PubChem (CID 7223012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).