N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2-phenylacetamide

C22H22N4O2S — CID 7287094

IUPACN-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2-phenylacetamide
SMILESCOc1ccc(-c2nc3sc(CCNC(=O)Cc4ccccc4)c(C)n3n2)cc1
InChIInChI=1S/C22H22N4O2S/c1-15-19(12-13-23-20(27)14-16-6-4-3-5-7-16)29-22-24-21(25-26(15)22)17-8-10-18(28-2)11-9-17/h3-11H,12-14H2,1-2H3,(H,23,27)
InChIKeyDJRMSJSZVSDGCI-UHFFFAOYSA-N
MW406.51 g/mol
LogP3.68
Rot. Bonds7

About N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2-phenylacetamide

N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2-phenylacetamide (PubChem CID 7287094) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2-phenylacetamide
PubChem CID7287094
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC NameN-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2-phenylacetamide
SMILESCOc1ccc(-c2nc3sc(CCNC(=O)Cc4ccccc4)c(C)n3n2)cc1
InChIInChI=1S/C22H22N4O2S/c1-15-19(12-13-23-20(27)14-16-6-4-3-5-7-16)29-22-24-21(25-26(15)22)17-8-10-18(28-2)11-9-17/h3-11H,12-14H2,1-2H3,(H,23,27)
InChIKeyDJRMSJSZVSDGCI-UHFFFAOYSA-N
XLogP3.68
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-Dimethoxy-phenyl)-N-[5-(2-ethyl-2H-tetrazol-5-yl)-4-phenyl-thiazol-2-yl]-acetamide
CID 11597583
2-(4-Fluorophenyl)-N-{2-[2-(4-methoxyphenyl)-[1,2,4]triazolo[3,2-B][1,3]thiazol-6-YL]ethyl}acetamide
CID 7243428
N-{2-[2-(4-Methoxyphenyl)-6-methyl-[1,2,4]triazolo[3,2-B][1,3]thiazol-5-YL]ethyl}-2,2-dimethylpropanamide
CID 7287095
N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]ethanesulfonamide
CID 7287111
3-Bromo-N-{2-[2-(4-methoxyphenyl)-[1,2,4]triazolo[3,2-B][1,3]thiazol-6-YL]ethyl}benzamide
CID 16021623
N1-(4-ethoxyphenyl)-N2-(2-(2-(2-fluorophenyl)thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl)oxalamide
CID 16028770
N'-(4-Ethylphenyl)-N-{2-[2-(4-methoxyphenyl)-6-methyl-[1,2,4]triazolo[3,2-B][1,3]thiazol-5-YL]ethyl}ethanediamide
CID 16032652
N'-(3,4-Dimethylphenyl)-N-{2-[2-(4-methoxyphenyl)-6-methyl-[1,2,4]triazolo[3,2-B][1,3]thiazol-5-YL]ethyl}ethanediamide
CID 16032666
N1-(3-acetamidophenyl)-N2-(2-(2-(4-methoxyphenyl)-6-methylthiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl)oxalamide
CID 16032676
4-Tert-butyl-N-{2-[2-(4-methoxyphenyl)-6-methyl-[1,2,4]triazolo[3,2-B][1,3]thiazol-5-YL]ethyl}benzamide
CID 16032765
5-Chloro-2-methoxy-N-{2-[2-(4-methoxyphenyl)-6-methyl-[1,2,4]triazolo[3,2-B][1,3]thiazol-5-YL]ethyl}benzamide
CID 16032767
3,4,5-Trimethoxy-N-{2-[2-(4-methoxyphenyl)-6-methyl-[1,2,4]triazolo[3,2-B][1,3]thiazol-5-YL]ethyl}benzamide
CID 16032773

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2-phenylacetamide (CID 7287094) is N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2-phenylacetamide is COc1ccc(-c2nc3sc(CCNC(=O)Cc4ccccc4)c(C)n3n2)cc1.
What is the InChIKey of N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2-phenylacetamide?
The InChIKey is DJRMSJSZVSDGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S/c1-15-19(12-13-23-20(27)14-16-6-4-3-5-7-16)29-22-24-21(25-26(15)22)17-8-10-18(28-2)11-9-17/h3-11H,12-14H2,1-2H3,(H,23,27).
What are the key properties of N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2-phenylacetamide?
N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2-phenylacetamide has a molecular weight of 406.51 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2-phenylacetamide is sourced from PubChem (CID 7287094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).