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

C18H13BrN4O2S — CID 108728841

IUPAC4-bromo-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
SMILESCOc1ccccc1-c1csc2nc(NC(=O)c3ccc(Br)cc3)nn12
InChIInChI=1S/C18H13BrN4O2S/c1-25-15-5-3-2-4-13(15)14-10-26-18-21-17(22-23(14)18)20-16(24)11-6-8-12(19)9-7-11/h2-10H,1H3,(H,20,22,24)
InChIKeyRBDSLYVKJQJSAK-UHFFFAOYSA-N
MW429.30 g/mol
LogP4.48
Rot. Bonds4

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

4-bromo-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide (PubChem CID 108728841) has the molecular formula C18H13BrN4O2S and a molecular weight of 429.30 g/mol. Its IUPAC name is 4-bromo-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
PubChem CID108728841
Molecular FormulaC18H13BrN4O2S
Molecular Weight429.30 g/mol
Exact Mass427.99
IUPAC Name4-bromo-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
SMILESCOc1ccccc1-c1csc2nc(NC(=O)c3ccc(Br)cc3)nn12
InChIInChI=1S/C18H13BrN4O2S/c1-25-15-5-3-2-4-13(15)14-10-26-18-21-17(22-23(14)18)20-16(24)11-6-8-12(19)9-7-11/h2-10H,1H3,(H,20,22,24)
InChIKeyRBDSLYVKJQJSAK-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-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]naphthalene-1-carboxamide
CID 108752665
N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-methylfuran-2-carboxamide
CID 108728826
4-chloro-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-nitrobenzamide
CID 108728711
N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-nitrobenzamide
CID 108728735
N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-morpholin-4-yl-3-nitrobenzamide
CID 108728721
N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(2-prop-2-enoxyphenoxy)acetamide
CID 108752647
4-phenyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide
CID 108751770
6-(2-methoxyphenyl)-N-(3-methylquinoxalin-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108772525
N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,4-dimethoxybenzamide
CID 108752185
N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(3-methylphenoxy)acetamide
CID 108728816
N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclopropanesulfonamide
CID 108780749
N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]thiophene-2-sulfonamide
CID 108780733

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide?
The IUPAC name of 4-bromo-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide (CID 108728841) is 4-bromo-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide.
What is the SMILES notation for 4-bromo-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide?
The canonical SMILES for 4-bromo-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide is COc1ccccc1-c1csc2nc(NC(=O)c3ccc(Br)cc3)nn12.
What is the InChIKey of 4-bromo-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide?
The InChIKey is RBDSLYVKJQJSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN4O2S/c1-25-15-5-3-2-4-13(15)14-10-26-18-21-17(22-23(14)18)20-16(24)11-6-8-12(19)9-7-11/h2-10H,1H3,(H,20,22,24).
What are the key properties of 4-bromo-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide?
4-bromo-N-[6-(2-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 4-bromo-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide is sourced from PubChem (CID 108728841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).