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

C20H15ClFN5O2S — CID 18564770

IUPACN-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-N'-(3-fluorophenyl)oxamide
SMILESO=C(NCCc1csc2nc(-c3ccc(Cl)cc3)nn12)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C20H15ClFN5O2S/c21-13-6-4-12(5-7-13)17-25-20-27(26-17)16(11-30-20)8-9-23-18(28)19(29)24-15-3-1-2-14(22)10-15/h1-7,10-11H,8-9H2,(H,23,28)(H,24,29)
InChIKeyQXLDBRHHOTXNOK-UHFFFAOYSA-N
MW443.89 g/mol
LogP3.55
Rot. Bonds5

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

N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-N'-(3-fluorophenyl)oxamide (PubChem CID 18564770) has the molecular formula C20H15ClFN5O2S and a molecular weight of 443.89 g/mol. Its IUPAC name is N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-N'-(3-fluorophenyl)oxamide.

Molecular Properties

Compound NameN-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-N'-(3-fluorophenyl)oxamide
PubChem CID18564770
Molecular FormulaC20H15ClFN5O2S
Molecular Weight443.89 g/mol
Exact Mass443.06
IUPAC NameN-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-N'-(3-fluorophenyl)oxamide
SMILESO=C(NCCc1csc2nc(-c3ccc(Cl)cc3)nn12)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C20H15ClFN5O2S/c21-13-6-4-12(5-7-13)17-25-20-27(26-17)16(11-30-20)8-9-23-18(28)19(29)24-15-3-1-2-14(22)10-15/h1-7,10-11H,8-9H2,(H,23,28)(H,24,29)
InChIKeyQXLDBRHHOTXNOK-UHFFFAOYSA-N
XLogP3.55
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.89
LogP ≤ 53.55
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'-(4-chlorophenyl)-N-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide
CID 27548697
N'-(3-fluorophenyl)-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide
CID 18564712
N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-N'-phenyloxamide
CID 7216247
N'-(4-chlorophenyl)-N-[2-[2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide
CID 18564694
4-chloro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
CID 7216134
N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-4-fluorobenzamide
CID 7216168
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
N'-(3-chloro-4-fluorophenyl)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]oxamide
CID 44826644
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'-(3-chlorophenyl)-N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide
CID 20965892
2-(4-chlorophenoxy)-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]acetamide
CID 18564691
N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-phenylacetamide
CID 7243426

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-N'-(3-fluorophenyl)oxamide?
The IUPAC name of N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-N'-(3-fluorophenyl)oxamide (CID 18564770) is N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-N'-(3-fluorophenyl)oxamide.
What is the SMILES notation for N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-N'-(3-fluorophenyl)oxamide?
The canonical SMILES for N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-N'-(3-fluorophenyl)oxamide is O=C(NCCc1csc2nc(-c3ccc(Cl)cc3)nn12)C(=O)Nc1cccc(F)c1.
What is the InChIKey of N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-N'-(3-fluorophenyl)oxamide?
The InChIKey is QXLDBRHHOTXNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN5O2S/c21-13-6-4-12(5-7-13)17-25-20-27(26-17)16(11-30-20)8-9-23-18(28)19(29)24-15-3-1-2-14(22)10-15/h1-7,10-11H,8-9H2,(H,23,28)(H,24,29).
What are the key properties of N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-N'-(3-fluorophenyl)oxamide?
N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-N'-(3-fluorophenyl)oxamide has a molecular weight of 443.89 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-N'-(3-fluorophenyl)oxamide is sourced from PubChem (CID 18564770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).