2-(2-methoxyphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

C17H16N2O2S — CID 670753

IUPAC2-(2-methoxyphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccccc1CC(=O)Nc1nc2ccc(C)cc2s1
InChIInChI=1S/C17H16N2O2S/c1-11-7-8-13-15(9-11)22-17(18-13)19-16(20)10-12-5-3-4-6-14(12)21-2/h3-9H,10H2,1-2H3,(H,18,19,20)
InChIKeyGSEJFQATWFVODO-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.79
Rot. Bonds4

About 2-(2-methoxyphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

2-(2-methoxyphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 670753) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID670753
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name2-(2-methoxyphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccccc1CC(=O)Nc1nc2ccc(C)cc2s1
InChIInChI=1S/C17H16N2O2S/c1-11-7-8-13-15(9-11)22-17(18-13)19-16(20)10-12-5-3-4-6-14(12)21-2/h3-9H,10H2,1-2H3,(H,18,19,20)
InChIKeyGSEJFQATWFVODO-UHFFFAOYSA-N
XLogP3.79
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide (CID 670753) is 2-(2-methoxyphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is COc1ccccc1CC(=O)Nc1nc2ccc(C)cc2s1.
What is the InChIKey of 2-(2-methoxyphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is GSEJFQATWFVODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-11-7-8-13-15(9-11)22-17(18-13)19-16(20)10-12-5-3-4-6-14(12)21-2/h3-9H,10H2,1-2H3,(H,18,19,20).
What are the key properties of 2-(2-methoxyphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
2-(2-methoxyphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 312.39 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 670753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).