2-(2-methylphenoxy)-N-(6-propoxy-1,3-benzothiazol-2-yl)acetamide

C19H20N2O3S — CID 19213777

IUPAC2-(2-methylphenoxy)-N-(6-propoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCCCOc1ccc2nc(NC(=O)COc3ccccc3C)sc2c1
InChIInChI=1S/C19H20N2O3S/c1-3-10-23-14-8-9-15-17(11-14)25-19(20-15)21-18(22)12-24-16-7-5-4-6-13(16)2/h4-9,11H,3,10,12H2,1-2H3,(H,20,21,22)
InChIKeyKNENQDXBXLCPRW-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.41
Rot. Bonds7

About 2-(2-methylphenoxy)-N-(6-propoxy-1,3-benzothiazol-2-yl)acetamide

2-(2-methylphenoxy)-N-(6-propoxy-1,3-benzothiazol-2-yl)acetamide (PubChem CID 19213777) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-(6-propoxy-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-(6-propoxy-1,3-benzothiazol-2-yl)acetamide
PubChem CID19213777
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name2-(2-methylphenoxy)-N-(6-propoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCCCOc1ccc2nc(NC(=O)COc3ccccc3C)sc2c1
InChIInChI=1S/C19H20N2O3S/c1-3-10-23-14-8-9-15-17(11-14)25-19(20-15)21-18(22)12-24-16-7-5-4-6-13(16)2/h4-9,11H,3,10,12H2,1-2H3,(H,20,21,22)
InChIKeyKNENQDXBXLCPRW-UHFFFAOYSA-N
XLogP4.41
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-methylphenoxy)-N-(6-propoxy-1,3-benzothiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-butoxy-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenoxy)acetamide
CID 19218142
2-(2-bromophenoxy)-N-(6-butoxy-1,3-benzothiazol-2-yl)acetamide
CID 19218244
2-(2-bromo-4-phenylphenoxy)-N-(6-propoxy-1,3-benzothiazol-2-yl)acetamide
CID 19213758
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(2-methylphenoxy)butanamide
CID 2238971
2-(2,6-dimethylphenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 1020058
2-(2-iodophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 38878359
2-(4-bromo-2-ethylphenoxy)-N-(6-butoxy-1,3-benzothiazol-2-yl)acetamide
CID 19219783
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide
CID 18854040
2-(2,4-dimethylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 836392
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 7926150
4-methyl-N-(6-propoxy-1,3-benzothiazol-2-yl)benzamide
CID 19213723
2-(3,5-dimethylphenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 18854078

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-(6-propoxy-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-(6-propoxy-1,3-benzothiazol-2-yl)acetamide (CID 19213777) is 2-(2-methylphenoxy)-N-(6-propoxy-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-(6-propoxy-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-(6-propoxy-1,3-benzothiazol-2-yl)acetamide is CCCOc1ccc2nc(NC(=O)COc3ccccc3C)sc2c1.
What is the InChIKey of 2-(2-methylphenoxy)-N-(6-propoxy-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is KNENQDXBXLCPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-3-10-23-14-8-9-15-17(11-14)25-19(20-15)21-18(22)12-24-16-7-5-4-6-13(16)2/h4-9,11H,3,10,12H2,1-2H3,(H,20,21,22).
What are the key properties of 2-(2-methylphenoxy)-N-(6-propoxy-1,3-benzothiazol-2-yl)acetamide?
2-(2-methylphenoxy)-N-(6-propoxy-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 356.45 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-(6-propoxy-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 19213777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).