5-[(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methyl]-1,3-thiazol-2-amine

C15H19N3OS — CID 120902755

IUPAC5-[(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methyl]-1,3-thiazol-2-amine
SMILESCOc1ccc2c(c1)CCN(Cc1cnc(N)s1)CC2
InChIInChI=1S/C15H19N3OS/c1-19-13-3-2-11-4-6-18(7-5-12(11)8-13)10-14-9-17-15(16)20-14/h2-3,8-9H,4-7,10H2,1H3,(H2,16,17)
InChIKeyXMOZSDYMGJLKIJ-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.33
Rot. Bonds3

About 5-[(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methyl]-1,3-thiazol-2-amine

5-[(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 120902755) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 5-[(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methyl]-1,3-thiazol-2-amine
PubChem CID120902755
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name5-[(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methyl]-1,3-thiazol-2-amine
SMILESCOc1ccc2c(c1)CCN(Cc1cnc(N)s1)CC2
InChIInChI=1S/C15H19N3OS/c1-19-13-3-2-11-4-6-18(7-5-12(11)8-13)10-14-9-17-15(16)20-14/h2-3,8-9H,4-7,10H2,1H3,(H2,16,17)
InChIKeyXMOZSDYMGJLKIJ-UHFFFAOYSA-N
XLogP2.33
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methyl]-1,3-thiazol-2-amine (CID 120902755) is 5-[(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methyl]-1,3-thiazol-2-amine is COc1ccc2c(c1)CCN(Cc1cnc(N)s1)CC2.
What is the InChIKey of 5-[(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is XMOZSDYMGJLKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-19-13-3-2-11-4-6-18(7-5-12(11)8-13)10-14-9-17-15(16)20-14/h2-3,8-9H,4-7,10H2,1H3,(H2,16,17).
What are the key properties of 5-[(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methyl]-1,3-thiazol-2-amine?
5-[(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 289.40 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120902755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).