N-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]-2-(oxan-4-yl)acetamide

C20H26N2O4S — CID 11257802

IUPACN-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]-2-(oxan-4-yl)acetamide
SMILESCOc1ccc(C2CCOCC2)c2sc(NC(=O)CC3CCOCC3)nc12
InChIInChI=1S/C20H26N2O4S/c1-24-16-3-2-15(14-6-10-26-11-7-14)19-18(16)22-20(27-19)21-17(23)12-13-4-8-25-9-5-13/h2-3,13-14H,4-12H2,1H3,(H,21,22,23)
InChIKeyBPDFGJZWPZXOLA-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.95
Rot. Bonds5

About N-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]-2-(oxan-4-yl)acetamide

N-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]-2-(oxan-4-yl)acetamide (PubChem CID 11257802) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]-2-(oxan-4-yl)acetamide
PubChem CID11257802
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]-2-(oxan-4-yl)acetamide
SMILESCOc1ccc(C2CCOCC2)c2sc(NC(=O)CC3CCOCC3)nc12
InChIInChI=1S/C20H26N2O4S/c1-24-16-3-2-15(14-6-10-26-11-7-14)19-18(16)22-20(27-19)21-17(23)12-13-4-8-25-9-5-13/h2-3,13-14H,4-12H2,1H3,(H,21,22,23)
InChIKeyBPDFGJZWPZXOLA-UHFFFAOYSA-N
XLogP3.95
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]-2-(oxan-4-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

3-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]-1-methyl-1-(oxan-4-yl)urea
CID 11327203
2-(chloromethyl)-N-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]pyridine-4-carboxamide
CID 22719561
4-[[2-methoxyethyl(methyl)amino]methyl]-N-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]benzamide
CID 22719578
4-[4-methoxy-2-(morpholine-4-carbonylamino)-1,3-benzothiazol-7-yl]piperidine-1-carboxylic acid
CID 22719552
3-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]-1-methyl-1-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
CID 101496267
3-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]-1-methyl-1-[(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
CID 24786232
N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]morpholine-4-carboxamide
CID 11326842
[(1S,3R)-3-[2-[(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]cyclopentyl] acetate
CID 11561101
(2S)-N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]oxolane-2-carboxamide
CID 11280386
N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]piperidine-1-carboxamide
CID 11303889
4-(chloromethyl)-N-(7-cyclohexyl-4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 22719560
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 2150738

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]-2-(oxan-4-yl)acetamide?
The IUPAC name of N-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]-2-(oxan-4-yl)acetamide (CID 11257802) is N-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]-2-(oxan-4-yl)acetamide is COc1ccc(C2CCOCC2)c2sc(NC(=O)CC3CCOCC3)nc12.
What is the InChIKey of N-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]-2-(oxan-4-yl)acetamide?
The InChIKey is BPDFGJZWPZXOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-24-16-3-2-15(14-6-10-26-11-7-14)19-18(16)22-20(27-19)21-17(23)12-13-4-8-25-9-5-13/h2-3,13-14H,4-12H2,1H3,(H,21,22,23).
What are the key properties of N-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]-2-(oxan-4-yl)acetamide?
N-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]-2-(oxan-4-yl)acetamide has a molecular weight of 390.51 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 11257802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).