N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-(2-methylphenoxy)acetamide

C20H22N2O3S — CID 43937665

IUPACN-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-(2-methylphenoxy)acetamide
SMILESCOCCn1/c(=N/C(=O)COc2ccccc2C)sc2cc(C)ccc21
InChIInChI=1S/C20H22N2O3S/c1-14-8-9-16-18(12-14)26-20(22(16)10-11-24-3)21-19(23)13-25-17-7-5-4-6-15(17)2/h4-9,12H,10-11,13H2,1-3H3/b21-20-
InChIKeyZNVOFZDWGUYOEI-MRCUWXFGSA-N
MW370.47 g/mol
LogP3.47
Rot. Bonds6

About N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-(2-methylphenoxy)acetamide

N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-(2-methylphenoxy)acetamide (PubChem CID 43937665) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-(2-methylphenoxy)acetamide
PubChem CID43937665
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-(2-methylphenoxy)acetamide
SMILESCOCCn1/c(=N/C(=O)COc2ccccc2C)sc2cc(C)ccc21
InChIInChI=1S/C20H22N2O3S/c1-14-8-9-16-18(12-14)26-20(22(16)10-11-24-3)21-19(23)13-25-17-7-5-4-6-15(17)2/h4-9,12H,10-11,13H2,1-3H3/b21-20-
InChIKeyZNVOFZDWGUYOEI-MRCUWXFGSA-N
XLogP3.47
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-(2-methylphenoxy)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-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide
CID 4650559
N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]propanamide
CID 5073898
N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-methylbenzamide
CID 4099388
N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-3-phenylpropanamide
CID 4227838
N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(4-methoxyphenoxy)acetamide
CID 43938018
2-(2,4-dichlorophenoxy)-N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide
CID 4121652
2-(4-chlorophenyl)-N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]acetamide
CID 16912282
N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-4-phenylbenzamide
CID 3623281
N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylbenzamide
CID 5108762
N-(5,6-dimethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-(2-methylphenoxy)acetamide
CID 43980311
N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
CID 5121652
N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(4-fluorophenoxy)acetamide
CID 43937829

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-(2-methylphenoxy)acetamide (CID 43937665) is N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-(2-methylphenoxy)acetamide is COCCn1/c(=N/C(=O)COc2ccccc2C)sc2cc(C)ccc21.
What is the InChIKey of N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-(2-methylphenoxy)acetamide?
The InChIKey is ZNVOFZDWGUYOEI-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-14-8-9-16-18(12-14)26-20(22(16)10-11-24-3)21-19(23)13-25-17-7-5-4-6-15(17)2/h4-9,12H,10-11,13H2,1-3H3/b21-20-.
What are the key properties of N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-(2-methylphenoxy)acetamide?
N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-(2-methylphenoxy)acetamide has a molecular weight of 370.47 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 43937665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).