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

C17H16N2O2S — CID 2102300

IUPAC2-(3-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
SMILESCOc1cccc(CC(=O)Nc2ccc3nc(C)sc3c2)c1
InChIInChI=1S/C17H16N2O2S/c1-11-18-15-7-6-13(10-16(15)22-11)19-17(20)9-12-4-3-5-14(8-12)21-2/h3-8,10H,9H2,1-2H3,(H,19,20)
InChIKeyFEEYKVCPKPHZFI-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.79
Rot. Bonds4

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

2-(3-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide (PubChem CID 2102300) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
PubChem CID2102300
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name2-(3-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
SMILESCOc1cccc(CC(=O)Nc2ccc3nc(C)sc3c2)c1
InChIInChI=1S/C17H16N2O2S/c1-11-18-15-7-6-13(10-16(15)22-11)19-17(20)9-12-4-3-5-14(8-12)21-2/h3-8,10H,9H2,1-2H3,(H,19,20)
InChIKeyFEEYKVCPKPHZFI-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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Related Compounds

(2R)-2-acetamido-3-(3-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 51966820
3-(3,5-dimethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 9085555
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 31529238
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 16911452
N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-3-ylacetamide
CID 2550244
2-(3-chlorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 9473411
N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenoxybutanamide
CID 4800116
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 2101612
N-[1-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43682691
2-(3-methoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 2666779
2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 55649827

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide (CID 2102300) is 2-(3-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide is COc1cccc(CC(=O)Nc2ccc3nc(C)sc3c2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
The InChIKey is FEEYKVCPKPHZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-11-18-15-7-6-13(10-16(15)22-11)19-17(20)9-12-4-3-5-14(8-12)21-2/h3-8,10H,9H2,1-2H3,(H,19,20).
What are the key properties of 2-(3-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
2-(3-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-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-(3-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide is sourced from PubChem (CID 2102300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).