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

C20H17F2N3O2S — CID 7287542

IUPACN'-(2,4-difluorophenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide
SMILESCc1ccc(-c2nc(CCNC(=O)C(=O)Nc3ccc(F)cc3F)cs2)cc1
InChIInChI=1S/C20H17F2N3O2S/c1-12-2-4-13(5-3-12)20-24-15(11-28-20)8-9-23-18(26)19(27)25-17-7-6-14(21)10-16(17)22/h2-7,10-11H,8-9H2,1H3,(H,23,26)(H,25,27)
InChIKeyMQKQETBZVGAZTD-UHFFFAOYSA-N
MW401.44 g/mol
LogP3.69
Rot. Bonds5

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

N'-(2,4-difluorophenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide (PubChem CID 7287542) has the molecular formula C20H17F2N3O2S and a molecular weight of 401.44 g/mol. Its IUPAC name is N'-(2,4-difluorophenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(2,4-difluorophenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide
PubChem CID7287542
Molecular FormulaC20H17F2N3O2S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC NameN'-(2,4-difluorophenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide
SMILESCc1ccc(-c2nc(CCNC(=O)C(=O)Nc3ccc(F)cc3F)cs2)cc1
InChIInChI=1S/C20H17F2N3O2S/c1-12-2-4-13(5-3-12)20-24-15(11-28-20)8-9-23-18(26)19(27)25-17-7-6-14(21)10-16(17)22/h2-7,10-11H,8-9H2,1H3,(H,23,26)(H,25,27)
InChIKeyMQKQETBZVGAZTD-UHFFFAOYSA-N
XLogP3.69
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-(2,4-difluorophenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-difluorophenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide?
The IUPAC name of N'-(2,4-difluorophenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide (CID 7287542) is N'-(2,4-difluorophenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide.
What is the SMILES notation for N'-(2,4-difluorophenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide?
The canonical SMILES for N'-(2,4-difluorophenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide is Cc1ccc(-c2nc(CCNC(=O)C(=O)Nc3ccc(F)cc3F)cs2)cc1.
What is the InChIKey of N'-(2,4-difluorophenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide?
The InChIKey is MQKQETBZVGAZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O2S/c1-12-2-4-13(5-3-12)20-24-15(11-28-20)8-9-23-18(26)19(27)25-17-7-6-14(21)10-16(17)22/h2-7,10-11H,8-9H2,1H3,(H,23,26)(H,25,27).
What are the key properties of N'-(2,4-difluorophenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide?
N'-(2,4-difluorophenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide has a molecular weight of 401.44 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-difluorophenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide is sourced from PubChem (CID 7287542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).