2-(5-methyl-1,2-benzoxazol-3-yl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide

C15H13N5O2S — CID 108740573

IUPAC2-(5-methyl-1,2-benzoxazol-3-yl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide
SMILESCc1ccc2onc(CC(=O)Nc3nc4scc(C)n4n3)c2c1
InChIInChI=1S/C15H13N5O2S/c1-8-3-4-12-10(5-8)11(19-22-12)6-13(21)16-14-17-15-20(18-14)9(2)7-23-15/h3-5,7H,6H2,1-2H3,(H,16,18,21)
InChIKeyVQDMFEDHNYHUBQ-UHFFFAOYSA-N
MW327.37 g/mol
LogP2.73
Rot. Bonds3

About 2-(5-methyl-1,2-benzoxazol-3-yl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide

2-(5-methyl-1,2-benzoxazol-3-yl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide (PubChem CID 108740573) has the molecular formula C15H13N5O2S and a molecular weight of 327.37 g/mol. Its IUPAC name is 2-(5-methyl-1,2-benzoxazol-3-yl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-1,2-benzoxazol-3-yl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide
PubChem CID108740573
Molecular FormulaC15H13N5O2S
Molecular Weight327.37 g/mol
Exact Mass327.08
IUPAC Name2-(5-methyl-1,2-benzoxazol-3-yl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide
SMILESCc1ccc2onc(CC(=O)Nc3nc4scc(C)n4n3)c2c1
InChIInChI=1S/C15H13N5O2S/c1-8-3-4-12-10(5-8)11(19-22-12)6-13(21)16-14-17-15-20(18-14)9(2)7-23-15/h3-5,7H,6H2,1-2H3,(H,16,18,21)
InChIKeyVQDMFEDHNYHUBQ-UHFFFAOYSA-N
XLogP2.73
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
CID 108728038
N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108742421
2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide
CID 108727907
N-ethyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108790457
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(2-methylphenyl)acetamide
CID 22519860
2-(5-methyl-1,2-benzoxazol-3-yl)-N-pyridin-2-ylacetamide
CID 22519774
N-(2-methoxy-5-methylphenyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 22519804
N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108746218
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 108803231
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 108803187
2-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoic acid
CID 108803274
N-(3-fluoro-4-methylphenyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 22519775

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2-benzoxazol-3-yl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide?
The IUPAC name of 2-(5-methyl-1,2-benzoxazol-3-yl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide (CID 108740573) is 2-(5-methyl-1,2-benzoxazol-3-yl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide.
What is the SMILES notation for 2-(5-methyl-1,2-benzoxazol-3-yl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide?
The canonical SMILES for 2-(5-methyl-1,2-benzoxazol-3-yl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide is Cc1ccc2onc(CC(=O)Nc3nc4scc(C)n4n3)c2c1.
What is the InChIKey of 2-(5-methyl-1,2-benzoxazol-3-yl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide?
The InChIKey is VQDMFEDHNYHUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S/c1-8-3-4-12-10(5-8)11(19-22-12)6-13(21)16-14-17-15-20(18-14)9(2)7-23-15/h3-5,7H,6H2,1-2H3,(H,16,18,21).
What are the key properties of 2-(5-methyl-1,2-benzoxazol-3-yl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide?
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide has a molecular weight of 327.37 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2-benzoxazol-3-yl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide is sourced from PubChem (CID 108740573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).