2,3-dihydro-1-benzazepin-1-yl(1,3-thiazol-4-yl)methanone

C14H12N2OS — CID 99829955

IUPAC2,3-dihydro-1-benzazepin-1-yl(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCC=Cc2ccccc21
InChIInChI=1S/C14H12N2OS/c17-14(12-9-18-10-15-12)16-8-4-3-6-11-5-1-2-7-13(11)16/h1-3,5-7,9-10H,4,8H2
InChIKeySDXMMZKYBJFSIB-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.21
Rot. Bonds1

About 2,3-dihydro-1-benzazepin-1-yl(1,3-thiazol-4-yl)methanone

2,3-dihydro-1-benzazepin-1-yl(1,3-thiazol-4-yl)methanone (PubChem CID 99829955) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 2,3-dihydro-1-benzazepin-1-yl(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzazepin-1-yl(1,3-thiazol-4-yl)methanone
PubChem CID99829955
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name2,3-dihydro-1-benzazepin-1-yl(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCC=Cc2ccccc21
InChIInChI=1S/C14H12N2OS/c17-14(12-9-18-10-15-12)16-8-4-3-6-11-5-1-2-7-13(11)16/h1-3,5-7,9-10H,4,8H2
InChIKeySDXMMZKYBJFSIB-UHFFFAOYSA-N
XLogP3.21
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzazepin-1-yl(1,3-thiazol-4-yl)methanone?
The IUPAC name of 2,3-dihydro-1-benzazepin-1-yl(1,3-thiazol-4-yl)methanone (CID 99829955) is 2,3-dihydro-1-benzazepin-1-yl(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzazepin-1-yl(1,3-thiazol-4-yl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzazepin-1-yl(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CCC=Cc2ccccc21.
What is the InChIKey of 2,3-dihydro-1-benzazepin-1-yl(1,3-thiazol-4-yl)methanone?
The InChIKey is SDXMMZKYBJFSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c17-14(12-9-18-10-15-12)16-8-4-3-6-11-5-1-2-7-13(11)16/h1-3,5-7,9-10H,4,8H2.
What are the key properties of 2,3-dihydro-1-benzazepin-1-yl(1,3-thiazol-4-yl)methanone?
2,3-dihydro-1-benzazepin-1-yl(1,3-thiazol-4-yl)methanone has a molecular weight of 256.33 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzazepin-1-yl(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 99829955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).