1-(5-methylthiophen-2-yl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone

C17H19NOS — CID 63153150

IUPAC1-(5-methylthiophen-2-yl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone
SMILESCc1ccc(C(=O)CN2CCCc3ccccc3C2)s1
InChIInChI=1S/C17H19NOS/c1-13-8-9-17(20-13)16(19)12-18-10-4-7-14-5-2-3-6-15(14)11-18/h2-3,5-6,8-9H,4,7,10-12H2,1H3
InChIKeyVPRHGDBJXIQOJP-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.69
Rot. Bonds3

About 1-(5-methylthiophen-2-yl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone

1-(5-methylthiophen-2-yl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone (PubChem CID 63153150) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone
PubChem CID63153150
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name1-(5-methylthiophen-2-yl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone
SMILESCc1ccc(C(=O)CN2CCCc3ccccc3C2)s1
InChIInChI=1S/C17H19NOS/c1-13-8-9-17(20-13)16(19)12-18-10-4-7-14-5-2-3-6-15(14)11-18/h2-3,5-6,8-9H,4,7,10-12H2,1H3
InChIKeyVPRHGDBJXIQOJP-UHFFFAOYSA-N
XLogP3.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydro-2H-quinolin-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 43227229
1-(5-bromothiophen-2-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 43227068
2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetic acid
CID 54461030
3,3-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-2-one
CID 63152667
methyl 2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetate
CID 63152884
2-(4-hydroxy-4-methylazepan-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 107405341
2-(4-methylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 43228150
2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetohydrazide
CID 63573779
2-(4,4-diethylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 55221827
1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-(5-methylthiophen-2-yl)butane-1,4-dione
CID 55480720
ethyl 4-oxo-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentanoate
CID 103484454
2-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-4H-isoquinoline-1,3-dione
CID 62024509

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone?
The IUPAC name of 1-(5-methylthiophen-2-yl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone (CID 63153150) is 1-(5-methylthiophen-2-yl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone?
The canonical SMILES for 1-(5-methylthiophen-2-yl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone is Cc1ccc(C(=O)CN2CCCc3ccccc3C2)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone?
The InChIKey is VPRHGDBJXIQOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-13-8-9-17(20-13)16(19)12-18-10-4-7-14-5-2-3-6-15(14)11-18/h2-3,5-6,8-9H,4,7,10-12H2,1H3.
What are the key properties of 1-(5-methylthiophen-2-yl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone?
1-(5-methylthiophen-2-yl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone has a molecular weight of 285.41 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone is sourced from PubChem (CID 63153150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).