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

C21H20N4OS — CID 7216195

IUPAC4-methyl-N-[2-[2-(3-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCc2csc3nc(-c4cccc(C)c4)nn23)cc1
InChIInChI=1S/C21H20N4OS/c1-14-6-8-16(9-7-14)20(26)22-11-10-18-13-27-21-23-19(24-25(18)21)17-5-3-4-15(2)12-17/h3-9,12-13H,10-11H2,1-2H3,(H,22,26)
InChIKeyYRLWBSWZPIDOIY-UHFFFAOYSA-N
MW376.49 g/mol
LogP4.05
Rot. Bonds5

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

4-methyl-N-[2-[2-(3-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide (PubChem CID 7216195) has the molecular formula C21H20N4OS and a molecular weight of 376.49 g/mol. Its IUPAC name is 4-methyl-N-[2-[2-(3-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-[2-(3-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
PubChem CID7216195
Molecular FormulaC21H20N4OS
Molecular Weight376.49 g/mol
Exact Mass376.14
IUPAC Name4-methyl-N-[2-[2-(3-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCc2csc3nc(-c4cccc(C)c4)nn23)cc1
InChIInChI=1S/C21H20N4OS/c1-14-6-8-16(9-7-14)20(26)22-11-10-18-13-27-21-23-19(24-25(18)21)17-5-3-4-15(2)12-17/h3-9,12-13H,10-11H2,1-2H3,(H,22,26)
InChIKeyYRLWBSWZPIDOIY-UHFFFAOYSA-N
XLogP4.05
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[2-(3-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide?
The IUPAC name of 4-methyl-N-[2-[2-(3-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide (CID 7216195) is 4-methyl-N-[2-[2-(3-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-[2-(3-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-[2-(3-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide is Cc1ccc(C(=O)NCCc2csc3nc(-c4cccc(C)c4)nn23)cc1.
What is the InChIKey of 4-methyl-N-[2-[2-(3-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide?
The InChIKey is YRLWBSWZPIDOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS/c1-14-6-8-16(9-7-14)20(26)22-11-10-18-13-27-21-23-19(24-25(18)21)17-5-3-4-15(2)12-17/h3-9,12-13H,10-11H2,1-2H3,(H,22,26).
What are the key properties of 4-methyl-N-[2-[2-(3-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide?
4-methyl-N-[2-[2-(3-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide has a molecular weight of 376.49 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[2-(3-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide is sourced from PubChem (CID 7216195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).