2-(benzotriazol-1-yl)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide

C17H15N5OS — CID 43989192

IUPAC2-(benzotriazol-1-yl)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1cc(C)c2sc(NC(=O)Cn3nnc4ccccc43)nc2c1
InChIInChI=1S/C17H15N5OS/c1-10-7-11(2)16-13(8-10)18-17(24-16)19-15(23)9-22-14-6-4-3-5-12(14)20-21-22/h3-8H,9H2,1-2H3,(H,18,19,23)
InChIKeyQCHWNLJYCPXDQF-UHFFFAOYSA-N
MW337.41 g/mol
LogP3.30
Rot. Bonds3

About 2-(benzotriazol-1-yl)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide

2-(benzotriazol-1-yl)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 43989192) has the molecular formula C17H15N5OS and a molecular weight of 337.41 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID43989192
Molecular FormulaC17H15N5OS
Molecular Weight337.41 g/mol
Exact Mass337.10
IUPAC Name2-(benzotriazol-1-yl)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1cc(C)c2sc(NC(=O)Cn3nnc4ccccc43)nc2c1
InChIInChI=1S/C17H15N5OS/c1-10-7-11(2)16-13(8-10)18-17(24-16)19-15(23)9-22-14-6-4-3-5-12(14)20-21-22/h3-8H,9H2,1-2H3,(H,18,19,23)
InChIKeyQCHWNLJYCPXDQF-UHFFFAOYSA-N
XLogP3.30
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzotriazol-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 856334
2-(benzotriazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 46527260
2-(benzotriazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 854633
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(1,2,4-triazol-1-yl)acetamide
CID 43989193
2-(benzotriazol-1-yl)-N-(2-bromo-4-methylphenyl)acetamide
CID 856354
2-(benzotriazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 47131251
2-(benzotriazol-1-yl)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 43998245
2-(benzotriazol-1-yl)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]acetamide
CID 51288230
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylbenzamide
CID 7193003
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 41320662
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanylpropanamide
CID 7545480
2-(benzotriazol-1-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 7504195

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide (CID 43989192) is 2-(benzotriazol-1-yl)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide is Cc1cc(C)c2sc(NC(=O)Cn3nnc4ccccc43)nc2c1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is QCHWNLJYCPXDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS/c1-10-7-11(2)16-13(8-10)18-17(24-16)19-15(23)9-22-14-6-4-3-5-12(14)20-21-22/h3-8H,9H2,1-2H3,(H,18,19,23).
What are the key properties of 2-(benzotriazol-1-yl)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide?
2-(benzotriazol-1-yl)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 337.41 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 43989192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).