3-ethyl-6,7-dimethoxy-2-phenyl-2,4-dihydro-1,3-benzothiazine

C18H21NO2S — CID 14297046

IUPAC3-ethyl-6,7-dimethoxy-2-phenyl-2,4-dihydro-1,3-benzothiazine
SMILESCCN1Cc2cc(OC)c(OC)cc2SC1c1ccccc1
InChIInChI=1S/C18H21NO2S/c1-4-19-12-14-10-15(20-2)16(21-3)11-17(14)22-18(19)13-8-6-5-7-9-13/h5-11,18H,4,12H2,1-3H3
InChIKeyLVSSGLMTHHAPHU-UHFFFAOYSA-N
MW315.44 g/mol
LogP4.33
Rot. Bonds4

About 3-ethyl-6,7-dimethoxy-2-phenyl-2,4-dihydro-1,3-benzothiazine

3-ethyl-6,7-dimethoxy-2-phenyl-2,4-dihydro-1,3-benzothiazine (PubChem CID 14297046) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 3-ethyl-6,7-dimethoxy-2-phenyl-2,4-dihydro-1,3-benzothiazine.

Molecular Properties

Compound Name3-ethyl-6,7-dimethoxy-2-phenyl-2,4-dihydro-1,3-benzothiazine
PubChem CID14297046
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name3-ethyl-6,7-dimethoxy-2-phenyl-2,4-dihydro-1,3-benzothiazine
SMILESCCN1Cc2cc(OC)c(OC)cc2SC1c1ccccc1
InChIInChI=1S/C18H21NO2S/c1-4-19-12-14-10-15(20-2)16(21-3)11-17(14)22-18(19)13-8-6-5-7-9-13/h5-11,18H,4,12H2,1-3H3
InChIKeyLVSSGLMTHHAPHU-UHFFFAOYSA-N
XLogP4.33
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dimethoxy-3-phenyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline
CID 102052760
(1R,3R)-3-ethyl-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 101228516
(1S)-2-benzyl-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline
CID 25389894
3-[(2,4-dimethoxyphenyl)methyl]-2-phenyl-1,3-thiazolidin-4-one
CID 3364684
N-benzyl-6,7-dimethoxy-1-phenyl-2,4-dihydro-1H-isoquinolin-3-imine
CID 135704112
(1R)-2-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-1-phenylethanol
CID 40758909
(2R,4R)-6,7-dimethoxy-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 15657175
(1R,3S)-6,7-dimethoxy-3-methyl-1-phenyl-3,4-dihydro-1H-isochromene
CID 129405533
7,8-dimethoxy-3-methyl-4-phenyl-1,2,4,5-tetrahydro-3-benzazepine
CID 12744904
2-[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid
CID 51434142
8-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)octanoic acid
CID 22662976
6,7,14,15-tetramethoxytetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaene
CID 172869288

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6,7-dimethoxy-2-phenyl-2,4-dihydro-1,3-benzothiazine?
The IUPAC name of 3-ethyl-6,7-dimethoxy-2-phenyl-2,4-dihydro-1,3-benzothiazine (CID 14297046) is 3-ethyl-6,7-dimethoxy-2-phenyl-2,4-dihydro-1,3-benzothiazine.
What is the SMILES notation for 3-ethyl-6,7-dimethoxy-2-phenyl-2,4-dihydro-1,3-benzothiazine?
The canonical SMILES for 3-ethyl-6,7-dimethoxy-2-phenyl-2,4-dihydro-1,3-benzothiazine is CCN1Cc2cc(OC)c(OC)cc2SC1c1ccccc1.
What is the InChIKey of 3-ethyl-6,7-dimethoxy-2-phenyl-2,4-dihydro-1,3-benzothiazine?
The InChIKey is LVSSGLMTHHAPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-4-19-12-14-10-15(20-2)16(21-3)11-17(14)22-18(19)13-8-6-5-7-9-13/h5-11,18H,4,12H2,1-3H3.
What are the key properties of 3-ethyl-6,7-dimethoxy-2-phenyl-2,4-dihydro-1,3-benzothiazine?
3-ethyl-6,7-dimethoxy-2-phenyl-2,4-dihydro-1,3-benzothiazine has a molecular weight of 315.44 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6,7-dimethoxy-2-phenyl-2,4-dihydro-1,3-benzothiazine is sourced from PubChem (CID 14297046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).