2,3-dihydro-1,4-benzothiazin-4-yl-(3-methoxyphenyl)methanone

C16H15NO2S — CID 47005086

IUPAC2,3-dihydro-1,4-benzothiazin-4-yl-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCSc3ccccc32)c1
InChIInChI=1S/C16H15NO2S/c1-19-13-6-4-5-12(11-13)16(18)17-9-10-20-15-8-3-2-7-14(15)17/h2-8,11H,9-10H2,1H3
InChIKeyWJQDNRBFBCDCGJ-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.45
Rot. Bonds2

About 2,3-dihydro-1,4-benzothiazin-4-yl-(3-methoxyphenyl)methanone

2,3-dihydro-1,4-benzothiazin-4-yl-(3-methoxyphenyl)methanone (PubChem CID 47005086) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzothiazin-4-yl-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzothiazin-4-yl-(3-methoxyphenyl)methanone
PubChem CID47005086
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name2,3-dihydro-1,4-benzothiazin-4-yl-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCSc3ccccc32)c1
InChIInChI=1S/C16H15NO2S/c1-19-13-6-4-5-12(11-13)16(18)17-9-10-20-15-8-3-2-7-14(15)17/h2-8,11H,9-10H2,1H3
InChIKeyWJQDNRBFBCDCGJ-UHFFFAOYSA-N
XLogP3.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1,4-benzothiazin-4-yl-(3,4-dimethoxyphenyl)methanone
CID 51155293
(3-methoxyphenyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone
CID 16573661
(3-bromophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 51155277
3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(4-methoxyphenyl)methanone
CID 17497583
3,4-dihydro-2H-quinolin-1-yl-(3-methoxyphenyl)methanone
CID 755245
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(3-methoxyphenyl)methanone
CID 110715186
(4-tert-butylphenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 51065210
2,3-dihydro-1,4-benzothiazin-4-yl-(4-fluorophenyl)methanone
CID 47005084
1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(3-methoxyphenyl)ethanone
CID 17478657
[4-(aminomethyl)phenyl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 61260592
(3-chloro-4-iodophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 103221344
2,3-dihydro-1,4-benzothiazin-4-yl(2,3-dihydro-1H-isoindol-5-yl)methanone
CID 103998704

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzothiazin-4-yl-(3-methoxyphenyl)methanone?
The IUPAC name of 2,3-dihydro-1,4-benzothiazin-4-yl-(3-methoxyphenyl)methanone (CID 47005086) is 2,3-dihydro-1,4-benzothiazin-4-yl-(3-methoxyphenyl)methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzothiazin-4-yl-(3-methoxyphenyl)methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzothiazin-4-yl-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCSc3ccccc32)c1.
What is the InChIKey of 2,3-dihydro-1,4-benzothiazin-4-yl-(3-methoxyphenyl)methanone?
The InChIKey is WJQDNRBFBCDCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-19-13-6-4-5-12(11-13)16(18)17-9-10-20-15-8-3-2-7-14(15)17/h2-8,11H,9-10H2,1H3.
What are the key properties of 2,3-dihydro-1,4-benzothiazin-4-yl-(3-methoxyphenyl)methanone?
2,3-dihydro-1,4-benzothiazin-4-yl-(3-methoxyphenyl)methanone has a molecular weight of 285.37 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzothiazin-4-yl-(3-methoxyphenyl)methanone is sourced from PubChem (CID 47005086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).