2-benzyl-5,6-dimethoxy-3H-1,2-benzothiazole 1-oxide

C16H17NO3S — CID 14297049

IUPAC2-benzyl-5,6-dimethoxy-3H-1,2-benzothiazole 1-oxide
SMILESCOc1cc2c(cc1OC)S(=O)N(Cc1ccccc1)C2
InChIInChI=1S/C16H17NO3S/c1-19-14-8-13-11-17(10-12-6-4-3-5-7-12)21(18)16(13)9-15(14)20-2/h3-9H,10-11H2,1-2H3
InChIKeyFSBWMDBGICKTHP-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.74
Rot. Bonds4

About 2-benzyl-5,6-dimethoxy-3H-1,2-benzothiazole 1-oxide

2-benzyl-5,6-dimethoxy-3H-1,2-benzothiazole 1-oxide (PubChem CID 14297049) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 2-benzyl-5,6-dimethoxy-3H-1,2-benzothiazole 1-oxide.

Molecular Properties

Compound Name2-benzyl-5,6-dimethoxy-3H-1,2-benzothiazole 1-oxide
PubChem CID14297049
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name2-benzyl-5,6-dimethoxy-3H-1,2-benzothiazole 1-oxide
SMILESCOc1cc2c(cc1OC)S(=O)N(Cc1ccccc1)C2
InChIInChI=1S/C16H17NO3S/c1-19-14-8-13-11-17(10-12-6-4-3-5-7-12)21(18)16(13)9-15(14)20-2/h3-9H,10-11H2,1-2H3
InChIKeyFSBWMDBGICKTHP-UHFFFAOYSA-N
XLogP2.74
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-benzyl-5,6-dimethoxy-3H-1,2-benzothiazole 1-oxide 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

2-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline
CID 25071224
2-benzyl-5,6-dimethoxyisoindole-1,3-dione
CID 91665603
2-benzyl-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol
CID 24953254
(10aR)-2-benzyl-7,8-dimethoxy-3-sulfanylidene-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one
CID 7349876
1-benzyl-4-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperazine
CID 1375737
1'-benzyl-5,6-dimethoxyspiro[1,2-dihydroindene-3,3'-piperidine]-2',6'-dione
CID 102589038
N-benzyl-4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]aniline
CID 90704573
1-benzyl-3-(1-benzyl-5,6-dimethoxyindol-3-yl)-5,6-dimethoxyindole
CID 25140580
(1S)-2-benzyl-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline
CID 25389894
1-benzyl-4-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperazine
CID 1376883
(2Z)-2-[(1-benzylpiperidin-4-yl)methylidene]-5,6-dimethoxy-3H-inden-1-one
CID 10179997
2-benzyl-7-methoxy-3-methyl-3,4-dihydro-1H-isoquinolin-6-ol
CID 70688134

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5,6-dimethoxy-3H-1,2-benzothiazole 1-oxide?
The IUPAC name of 2-benzyl-5,6-dimethoxy-3H-1,2-benzothiazole 1-oxide (CID 14297049) is 2-benzyl-5,6-dimethoxy-3H-1,2-benzothiazole 1-oxide.
What is the SMILES notation for 2-benzyl-5,6-dimethoxy-3H-1,2-benzothiazole 1-oxide?
The canonical SMILES for 2-benzyl-5,6-dimethoxy-3H-1,2-benzothiazole 1-oxide is COc1cc2c(cc1OC)S(=O)N(Cc1ccccc1)C2.
What is the InChIKey of 2-benzyl-5,6-dimethoxy-3H-1,2-benzothiazole 1-oxide?
The InChIKey is FSBWMDBGICKTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-19-14-8-13-11-17(10-12-6-4-3-5-7-12)21(18)16(13)9-15(14)20-2/h3-9H,10-11H2,1-2H3.
What are the key properties of 2-benzyl-5,6-dimethoxy-3H-1,2-benzothiazole 1-oxide?
2-benzyl-5,6-dimethoxy-3H-1,2-benzothiazole 1-oxide has a molecular weight of 303.38 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5,6-dimethoxy-3H-1,2-benzothiazole 1-oxide is sourced from PubChem (CID 14297049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).