2-(3,4-dimethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide

C18H18N2O3S — CID 1257929

IUPAC2-(3,4-dimethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc3nc(C)sc3c2)cc1OC
InChIInChI=1S/C18H18N2O3S/c1-11-19-14-6-5-13(10-17(14)24-11)20-18(21)9-12-4-7-15(22-2)16(8-12)23-3/h4-8,10H,9H2,1-3H3,(H,20,21)
InChIKeyXLWQFOFXDWCPHR-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.80
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide

2-(3,4-dimethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide (PubChem CID 1257929) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
PubChem CID1257929
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc3nc(C)sc3c2)cc1OC
InChIInChI=1S/C18H18N2O3S/c1-11-19-14-6-5-13(10-17(14)24-11)20-18(21)9-12-4-7-15(22-2)16(8-12)23-3/h4-8,10H,9H2,1-3H3,(H,20,21)
InChIKeyXLWQFOFXDWCPHR-UHFFFAOYSA-N
XLogP3.80
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide (CID 1257929) is 2-(3,4-dimethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide is COc1ccc(CC(=O)Nc2ccc3nc(C)sc3c2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
The InChIKey is XLWQFOFXDWCPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-11-19-14-6-5-13(10-17(14)24-11)20-18(21)9-12-4-7-15(22-2)16(8-12)23-3/h4-8,10H,9H2,1-3H3,(H,20,21).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
2-(3,4-dimethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide has a molecular weight of 342.42 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide is sourced from PubChem (CID 1257929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).