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

C18H13BrN4O2S — CID 108752831

IUPAC2-bromo-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
SMILESCOc1ccc(-c2csc3nc(NC(=O)c4ccccc4Br)nn23)cc1
InChIInChI=1S/C18H13BrN4O2S/c1-25-12-8-6-11(7-9-12)15-10-26-18-21-17(22-23(15)18)20-16(24)13-4-2-3-5-14(13)19/h2-10H,1H3,(H,20,22,24)
InChIKeyQEUXCTFAUDXAHE-UHFFFAOYSA-N
MW429.30 g/mol
LogP4.48
Rot. Bonds4

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

2-bromo-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide (PubChem CID 108752831) has the molecular formula C18H13BrN4O2S and a molecular weight of 429.30 g/mol. Its IUPAC name is 2-bromo-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
PubChem CID108752831
Molecular FormulaC18H13BrN4O2S
Molecular Weight429.30 g/mol
Exact Mass427.99
IUPAC Name2-bromo-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
SMILESCOc1ccc(-c2csc3nc(NC(=O)c4ccccc4Br)nn23)cc1
InChIInChI=1S/C18H13BrN4O2S/c1-25-12-8-6-11(7-9-12)15-10-26-18-21-17(22-23(15)18)20-16(24)13-4-2-3-5-14(13)19/h2-10H,1H3,(H,20,22,24)
InChIKeyQEUXCTFAUDXAHE-UHFFFAOYSA-N
XLogP4.48
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.30
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-methyl-3-nitrobenzamide
CID 108729127
N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-oxochromene-3-carboxamide
CID 108728996
N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-methoxybenzamide
CID 108752948
2-chloro-N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
CID 108752707
N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]propanamide
CID 108729059
2-chloro-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
CID 108729063
N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-pyrrol-1-ylbenzamide
CID 108729006
4-(dimethylamino)-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
CID 108729046
N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-phenoxyacetamide
CID 108729017
N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,4-dimethylbenzamide
CID 108729041
N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-phenoxypropanamide
CID 108729048
N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-chlorobenzamide
CID 108752967

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide?
The IUPAC name of 2-bromo-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide (CID 108752831) is 2-bromo-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide.
What is the SMILES notation for 2-bromo-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide?
The canonical SMILES for 2-bromo-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide is COc1ccc(-c2csc3nc(NC(=O)c4ccccc4Br)nn23)cc1.
What is the InChIKey of 2-bromo-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide?
The InChIKey is QEUXCTFAUDXAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN4O2S/c1-25-12-8-6-11(7-9-12)15-10-26-18-21-17(22-23(15)18)20-16(24)13-4-2-3-5-14(13)19/h2-10H,1H3,(H,20,22,24).
What are the key properties of 2-bromo-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide?
2-bromo-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide has a molecular weight of 429.30 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide is sourced from PubChem (CID 108752831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).