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

C21H19FN4O2S — CID 7530978

IUPACN-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCc2csc3nc(-c4ccccc4F)nn23)cc1
InChIInChI=1S/C21H19FN4O2S/c1-28-16-8-6-14(7-9-16)12-19(27)23-11-10-15-13-29-21-24-20(25-26(15)21)17-4-2-3-5-18(17)22/h2-9,13H,10-12H2,1H3,(H,23,27)
InChIKeyLBRRIMNBGJKMDJ-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.51
Rot. Bonds7

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

N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 7530978) has the molecular formula C21H19FN4O2S and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-(4-methoxyphenyl)acetamide
PubChem CID7530978
Molecular FormulaC21H19FN4O2S
Molecular Weight410.47 g/mol
Exact Mass410.12
IUPAC NameN-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCc2csc3nc(-c4ccccc4F)nn23)cc1
InChIInChI=1S/C21H19FN4O2S/c1-28-16-8-6-14(7-9-16)12-19(27)23-11-10-15-13-29-21-24-20(25-26(15)21)17-4-2-3-5-18(17)22/h2-9,13H,10-12H2,1H3,(H,23,27)
InChIKeyLBRRIMNBGJKMDJ-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

Analyze N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-(4-methoxyphenyl)acetamide 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-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-(4-methoxyphenyl)acetamide (CID 7530978) is N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCCc2csc3nc(-c4ccccc4F)nn23)cc1.
What is the InChIKey of N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is LBRRIMNBGJKMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2S/c1-28-16-8-6-14(7-9-16)12-19(27)23-11-10-15-13-29-21-24-20(25-26(15)21)17-4-2-3-5-18(17)22/h2-9,13H,10-12H2,1H3,(H,23,27).
What are the key properties of N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-(4-methoxyphenyl)acetamide?
N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-(4-methoxyphenyl)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 N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 7530978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).