7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1,3-benzothiazin-4-one

C23H26N2O2S — CID 19098525

IUPAC7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1,3-benzothiazin-4-one
SMILESCOc1cccc2c1CCCC2CN(C)CCc1ccc2c(=O)ncsc2c1
InChIInChI=1S/C23H26N2O2S/c1-25(12-11-16-9-10-20-22(13-16)28-15-24-23(20)26)14-17-5-3-7-19-18(17)6-4-8-21(19)27-2/h4,6,8-10,13,15,17H,3,5,7,11-12,14H2,1-2H3
InChIKeyUUGPZNSOKOPIRI-UHFFFAOYSA-N
MW394.54 g/mol
LogP4.26
Rot. Bonds6

About 7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1,3-benzothiazin-4-one

7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1,3-benzothiazin-4-one (PubChem CID 19098525) has the molecular formula C23H26N2O2S and a molecular weight of 394.54 g/mol. Its IUPAC name is 7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1,3-benzothiazin-4-one.

Molecular Properties

Compound Name7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1,3-benzothiazin-4-one
PubChem CID19098525
Molecular FormulaC23H26N2O2S
Molecular Weight394.54 g/mol
Exact Mass394.17
IUPAC Name7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1,3-benzothiazin-4-one
SMILESCOc1cccc2c1CCCC2CN(C)CCc1ccc2c(=O)ncsc2c1
InChIInChI=1S/C23H26N2O2S/c1-25(12-11-16-9-10-20-22(13-16)28-15-24-23(20)26)14-17-5-3-7-19-18(17)6-4-8-21(19)27-2/h4,6,8-10,13,15,17H,3,5,7,11-12,14H2,1-2H3
InChIKeyUUGPZNSOKOPIRI-UHFFFAOYSA-N
XLogP4.26
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1,3-benzothiazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1,3-benzothiazin-4-one?
The IUPAC name of 7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1,3-benzothiazin-4-one (CID 19098525) is 7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1,3-benzothiazin-4-one.
What is the SMILES notation for 7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1,3-benzothiazin-4-one?
The canonical SMILES for 7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1,3-benzothiazin-4-one is COc1cccc2c1CCCC2CN(C)CCc1ccc2c(=O)ncsc2c1.
What is the InChIKey of 7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1,3-benzothiazin-4-one?
The InChIKey is UUGPZNSOKOPIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2S/c1-25(12-11-16-9-10-20-22(13-16)28-15-24-23(20)26)14-17-5-3-7-19-18(17)6-4-8-21(19)27-2/h4,6,8-10,13,15,17H,3,5,7,11-12,14H2,1-2H3.
What are the key properties of 7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1,3-benzothiazin-4-one?
7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1,3-benzothiazin-4-one has a molecular weight of 394.54 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1,3-benzothiazin-4-one is sourced from PubChem (CID 19098525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).