N'-(2,4-difluorophenyl)-N-[2-[2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide

C21H17F2N5O2S — CID 18564699

IUPACN'-(2,4-difluorophenyl)-N-[2-[2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide
SMILESCc1ccc(-c2nc3scc(CCNC(=O)C(=O)Nc4ccc(F)cc4F)n3n2)cc1
InChIInChI=1S/C21H17F2N5O2S/c1-12-2-4-13(5-3-12)18-26-21-28(27-18)15(11-31-21)8-9-24-19(29)20(30)25-17-7-6-14(22)10-16(17)23/h2-7,10-11H,8-9H2,1H3,(H,24,29)(H,25,30)
InChIKeyHAKGKSMLDWYNRW-UHFFFAOYSA-N
MW441.46 g/mol
LogP3.34
Rot. Bonds5

About N'-(2,4-difluorophenyl)-N-[2-[2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide

N'-(2,4-difluorophenyl)-N-[2-[2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide (PubChem CID 18564699) has the molecular formula C21H17F2N5O2S and a molecular weight of 441.46 g/mol. Its IUPAC name is N'-(2,4-difluorophenyl)-N-[2-[2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(2,4-difluorophenyl)-N-[2-[2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide
PubChem CID18564699
Molecular FormulaC21H17F2N5O2S
Molecular Weight441.46 g/mol
Exact Mass441.11
IUPAC NameN'-(2,4-difluorophenyl)-N-[2-[2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide
SMILESCc1ccc(-c2nc3scc(CCNC(=O)C(=O)Nc4ccc(F)cc4F)n3n2)cc1
InChIInChI=1S/C21H17F2N5O2S/c1-12-2-4-13(5-3-12)18-26-21-28(27-18)15(11-31-21)8-9-24-19(29)20(30)25-17-7-6-14(22)10-16(17)23/h2-7,10-11H,8-9H2,1H3,(H,24,29)(H,25,30)
InChIKeyHAKGKSMLDWYNRW-UHFFFAOYSA-N
XLogP3.34
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.46
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-chloro-2-methylphenyl)-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide
CID 18564748
N'-(4-chlorophenyl)-N-[2-[2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide
CID 18564694
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-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-N'-(3-fluorophenyl)oxamide
CID 18564770
N'-(3-fluorophenyl)-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide
CID 18564712
3,4-difluoro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
CID 7216139
N'-(4-chlorophenyl)-N-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide
CID 27548697
N-[2-[2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
CID 20911912
N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-N'-(2-methylphenyl)oxamide
CID 20965931
4-chloro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
CID 7216134
2-fluoro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
CID 7216157
N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-4-fluorobenzamide
CID 7216168

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-difluorophenyl)-N-[2-[2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide?
The IUPAC name of N'-(2,4-difluorophenyl)-N-[2-[2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide (CID 18564699) is N'-(2,4-difluorophenyl)-N-[2-[2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide.
What is the SMILES notation for N'-(2,4-difluorophenyl)-N-[2-[2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide?
The canonical SMILES for N'-(2,4-difluorophenyl)-N-[2-[2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide is Cc1ccc(-c2nc3scc(CCNC(=O)C(=O)Nc4ccc(F)cc4F)n3n2)cc1.
What is the InChIKey of N'-(2,4-difluorophenyl)-N-[2-[2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide?
The InChIKey is HAKGKSMLDWYNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O2S/c1-12-2-4-13(5-3-12)18-26-21-28(27-18)15(11-31-21)8-9-24-19(29)20(30)25-17-7-6-14(22)10-16(17)23/h2-7,10-11H,8-9H2,1H3,(H,24,29)(H,25,30).
What are the key properties of N'-(2,4-difluorophenyl)-N-[2-[2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide?
N'-(2,4-difluorophenyl)-N-[2-[2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide has a molecular weight of 441.46 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-difluorophenyl)-N-[2-[2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide is sourced from PubChem (CID 18564699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).