2-(4-fluorophenyl)-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]acetamide

C21H19FN4O2S — CID 7243428

IUPAC2-(4-fluorophenyl)-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]acetamide
SMILESCOc1ccc(-c2nc3scc(CCNC(=O)Cc4ccc(F)cc4)n3n2)cc1
InChIInChI=1S/C21H19FN4O2S/c1-28-18-8-4-15(5-9-18)20-24-21-26(25-20)17(13-29-21)10-11-23-19(27)12-14-2-6-16(22)7-3-14/h2-9,13H,10-12H2,1H3,(H,23,27)
InChIKeyUVZCKUPAHWPDGV-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.51
Rot. Bonds7

About 2-(4-fluorophenyl)-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]acetamide

2-(4-fluorophenyl)-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]acetamide (PubChem CID 7243428) has the molecular formula C21H19FN4O2S and a molecular weight of 410.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]acetamide
PubChem CID7243428
Molecular FormulaC21H19FN4O2S
Molecular Weight410.47 g/mol
Exact Mass410.12
IUPAC Name2-(4-fluorophenyl)-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]acetamide
SMILESCOc1ccc(-c2nc3scc(CCNC(=O)Cc4ccc(F)cc4)n3n2)cc1
InChIInChI=1S/C21H19FN4O2S/c1-28-18-8-4-15(5-9-18)20-24-21-26(25-20)17(13-29-21)10-11-23-19(27)12-14-2-6-16(22)7-3-14/h2-9,13H,10-12H2,1H3,(H,23,27)
InChIKeyUVZCKUPAHWPDGV-UHFFFAOYSA-N
XLogP3.51
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]acetamide (CID 7243428) is 2-(4-fluorophenyl)-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]acetamide is COc1ccc(-c2nc3scc(CCNC(=O)Cc4ccc(F)cc4)n3n2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]acetamide?
The InChIKey is UVZCKUPAHWPDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2S/c1-28-18-8-4-15(5-9-18)20-24-21-26(25-20)17(13-29-21)10-11-23-19(27)12-14-2-6-16(22)7-3-14/h2-9,13H,10-12H2,1H3,(H,23,27).
What are the key properties of 2-(4-fluorophenyl)-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]acetamide?
2-(4-fluorophenyl)-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]acetamide has a molecular weight of 410.47 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]acetamide is sourced from PubChem (CID 7243428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).