7-[(3-methoxyphenyl)methyl]-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine

C19H21N3OS — CID 71541176

IUPAC7-[(3-methoxyphenyl)methyl]-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine
SMILESCOc1cccc(CN2CCc3cc4nc(N)sc4cc3CC2)c1
InChIInChI=1S/C19H21N3OS/c1-23-16-4-2-3-13(9-16)12-22-7-5-14-10-17-18(24-19(20)21-17)11-15(14)6-8-22/h2-4,9-11H,5-8,12H2,1H3,(H2,20,21)
InChIKeyBZZOYRXQTHGWNC-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.49
Rot. Bonds3

About 7-[(3-methoxyphenyl)methyl]-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine

7-[(3-methoxyphenyl)methyl]-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine (PubChem CID 71541176) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 7-[(3-methoxyphenyl)methyl]-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine.

Molecular Properties

Compound Name7-[(3-methoxyphenyl)methyl]-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine
PubChem CID71541176
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name7-[(3-methoxyphenyl)methyl]-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine
SMILESCOc1cccc(CN2CCc3cc4nc(N)sc4cc3CC2)c1
InChIInChI=1S/C19H21N3OS/c1-23-16-4-2-3-13(9-16)12-22-7-5-14-10-17-18(24-19(20)21-17)11-15(14)6-8-22/h2-4,9-11H,5-8,12H2,1H3,(H2,20,21)
InChIKeyBZZOYRXQTHGWNC-UHFFFAOYSA-N
XLogP3.49
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-methoxyphenyl)methyl]-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine?
The IUPAC name of 7-[(3-methoxyphenyl)methyl]-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine (CID 71541176) is 7-[(3-methoxyphenyl)methyl]-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine.
What is the SMILES notation for 7-[(3-methoxyphenyl)methyl]-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine?
The canonical SMILES for 7-[(3-methoxyphenyl)methyl]-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine is COc1cccc(CN2CCc3cc4nc(N)sc4cc3CC2)c1.
What is the InChIKey of 7-[(3-methoxyphenyl)methyl]-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine?
The InChIKey is BZZOYRXQTHGWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-23-16-4-2-3-13(9-16)12-22-7-5-14-10-17-18(24-19(20)21-17)11-15(14)6-8-22/h2-4,9-11H,5-8,12H2,1H3,(H2,20,21).
What are the key properties of 7-[(3-methoxyphenyl)methyl]-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine?
7-[(3-methoxyphenyl)methyl]-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine has a molecular weight of 339.46 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-methoxyphenyl)methyl]-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine is sourced from PubChem (CID 71541176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).