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

C17H13BrN4OS2 — CID 27555449

IUPAC4-bromo-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzamide
SMILESO=C(NCCc1csc2nc(-c3cccs3)nn12)c1ccc(Br)cc1
InChIInChI=1S/C17H13BrN4OS2/c18-12-5-3-11(4-6-12)16(23)19-8-7-13-10-25-17-20-15(21-22(13)17)14-2-1-9-24-14/h1-6,9-10H,7-8H2,(H,19,23)
InChIKeyZSEVAQYRELVUCO-UHFFFAOYSA-N
MW433.36 g/mol
LogP4.25
Rot. Bonds5

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

4-bromo-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzamide (PubChem CID 27555449) has the molecular formula C17H13BrN4OS2 and a molecular weight of 433.36 g/mol. Its IUPAC name is 4-bromo-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzamide
PubChem CID27555449
Molecular FormulaC17H13BrN4OS2
Molecular Weight433.36 g/mol
Exact Mass431.97
IUPAC Name4-bromo-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzamide
SMILESO=C(NCCc1csc2nc(-c3cccs3)nn12)c1ccc(Br)cc1
InChIInChI=1S/C17H13BrN4OS2/c18-12-5-3-11(4-6-12)16(23)19-8-7-13-10-25-17-20-15(21-22(13)17)14-2-1-9-24-14/h1-6,9-10H,7-8H2,(H,19,23)
InChIKeyZSEVAQYRELVUCO-UHFFFAOYSA-N
XLogP4.25
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.36
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzamide
CID 7530838
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
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
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-(2-methoxyphenoxy)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide
CID 7530890
N-[2-[2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
CID 20911912
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
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
(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)methanamine
CID 82476476
(3S)-5-oxo-1-phenyl-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrrolidine-3-carboxamide
CID 51896061
N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-4-fluorobenzamide
CID 7216168
4-chloro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
CID 7216134

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzamide (CID 27555449) is 4-bromo-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzamide is O=C(NCCc1csc2nc(-c3cccs3)nn12)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzamide?
The InChIKey is ZSEVAQYRELVUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN4OS2/c18-12-5-3-11(4-6-12)16(23)19-8-7-13-10-25-17-20-15(21-22(13)17)14-2-1-9-24-14/h1-6,9-10H,7-8H2,(H,19,23).
What are the key properties of 4-bromo-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzamide?
4-bromo-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzamide has a molecular weight of 433.36 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzamide is sourced from PubChem (CID 27555449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).