N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenoxy)propanamide

C19H20N2O2S — CID 108802853

IUPACN-(6-ethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenoxy)propanamide
SMILESCCc1ccc2nc(NC(=O)CCOc3ccc(C)cc3)sc2c1
InChIInChI=1S/C19H20N2O2S/c1-3-14-6-9-16-17(12-14)24-19(20-16)21-18(22)10-11-23-15-7-4-13(2)5-8-15/h4-9,12H,3,10-11H2,1-2H3,(H,20,21,22)
InChIKeyVERINSIKHIRIJN-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.57
Rot. Bonds6

About N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenoxy)propanamide

N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenoxy)propanamide (PubChem CID 108802853) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(6-ethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenoxy)propanamide
PubChem CID108802853
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-(6-ethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenoxy)propanamide
SMILESCCc1ccc2nc(NC(=O)CCOc3ccc(C)cc3)sc2c1
InChIInChI=1S/C19H20N2O2S/c1-3-14-6-9-16-17(12-14)24-19(20-16)21-18(22)10-11-23-15-7-4-13(2)5-8-15/h4-9,12H,3,10-11H2,1-2H3,(H,20,21,22)
InChIKeyVERINSIKHIRIJN-UHFFFAOYSA-N
XLogP4.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenoxy)propanamide 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-ethyl-1,3-benzothiazol-2-yl)butanamide
CID 2410170
N-(6-chloro-1,3-benzothiazol-2-yl)-4-(4-methylphenoxy)butanamide
CID 108761854
4-(4-bromophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 7919920
4-(4-acetylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 2547257
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-3-(4-methylphenoxy)propanamide
CID 167825990
3-(4-chlorophenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 108747725
2-(4-chloro-3-methylphenoxy)-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide
CID 108767849
2-(4-ethylphenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2484391
N-(6-butyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide
CID 5162221
N-(1,3-benzothiazol-2-yl)-3-(3,5-dimethylphenoxy)propanamide
CID 35503924
N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 108745532
methyl 4-[(6-methyl-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
CID 110756987

Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenoxy)propanamide?
The IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenoxy)propanamide (CID 108802853) is N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenoxy)propanamide?
The canonical SMILES for N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenoxy)propanamide is CCc1ccc2nc(NC(=O)CCOc3ccc(C)cc3)sc2c1.
What is the InChIKey of N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenoxy)propanamide?
The InChIKey is VERINSIKHIRIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-3-14-6-9-16-17(12-14)24-19(20-16)21-18(22)10-11-23-15-7-4-13(2)5-8-15/h4-9,12H,3,10-11H2,1-2H3,(H,20,21,22).
What are the key properties of N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenoxy)propanamide?
N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenoxy)propanamide has a molecular weight of 340.45 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenoxy)propanamide is sourced from PubChem (CID 108802853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).