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

C19H18N4O3S2 — CID 7530892

IUPAC2-(4-methoxyphenoxy)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide
SMILESCOc1ccc(OCC(=O)NCCc2csc3nc(-c4cccs4)nn23)cc1
InChIInChI=1S/C19H18N4O3S2/c1-25-14-4-6-15(7-5-14)26-11-17(24)20-9-8-13-12-28-19-21-18(22-23(13)19)16-3-2-10-27-16/h2-7,10,12H,8-9,11H2,1H3,(H,20,24)
InChIKeyZLBBWSZIMBFCJL-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.27
Rot. Bonds8

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

2-(4-methoxyphenoxy)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide (PubChem CID 7530892) has the molecular formula C19H18N4O3S2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide
PubChem CID7530892
Molecular FormulaC19H18N4O3S2
Molecular Weight414.51 g/mol
Exact Mass414.08
IUPAC Name2-(4-methoxyphenoxy)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide
SMILESCOc1ccc(OCC(=O)NCCc2csc3nc(-c4cccs4)nn23)cc1
InChIInChI=1S/C19H18N4O3S2/c1-25-14-4-6-15(7-5-14)26-11-17(24)20-9-8-13-12-28-19-21-18(22-23(13)19)16-3-2-10-27-16/h2-7,10,12H,8-9,11H2,1H3,(H,20,24)
InChIKeyZLBBWSZIMBFCJL-UHFFFAOYSA-N
XLogP3.27
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2-methoxyphenoxy)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide
CID 7530890
2-naphthalen-1-yl-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide
CID 44976671
N'-(3,4-dimethoxyphenyl)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]oxamide
CID 27444679
4-bromo-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzamide
CID 27555449
N'-(2-methylphenyl)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]oxamide
CID 44826640
2-(4-methoxyphenyl)-N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]acetamide
CID 7530900
2-(4-chlorophenoxy)-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]acetamide
CID 18564691
3-fluoro-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzamide
CID 7530838
N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-4-phenylbutanamide
CID 7216216
N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 7530978
N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 18564680
2-methoxy-4,5-dimethyl-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzenesulfonamide
CID 20965790

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide (CID 7530892) is 2-(4-methoxyphenoxy)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide is COc1ccc(OCC(=O)NCCc2csc3nc(-c4cccs4)nn23)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide?
The InChIKey is ZLBBWSZIMBFCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S2/c1-25-14-4-6-15(7-5-14)26-11-17(24)20-9-8-13-12-28-19-21-18(22-23(13)19)16-3-2-10-27-16/h2-7,10,12H,8-9,11H2,1H3,(H,20,24).
What are the key properties of 2-(4-methoxyphenoxy)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide?
2-(4-methoxyphenoxy)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide has a molecular weight of 414.51 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide is sourced from PubChem (CID 7530892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).