1-(2-methyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one

C15H14N2O2S — CID 114336521

IUPAC1-(2-methyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
SMILESCc1nc(C(=O)N2CCCC(=O)c3ccccc32)cs1
InChIInChI=1S/C15H14N2O2S/c1-10-16-12(9-20-10)15(19)17-8-4-7-14(18)11-5-2-3-6-13(11)17/h2-3,5-6,9H,4,7-8H2,1H3
InChIKeySSUSGIZAACEUBY-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.07
Rot. Bonds1

About 1-(2-methyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one

1-(2-methyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one (PubChem CID 114336521) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 1-(2-methyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one.

Molecular Properties

Compound Name1-(2-methyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
PubChem CID114336521
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name1-(2-methyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
SMILESCc1nc(C(=O)N2CCCC(=O)c3ccccc32)cs1
InChIInChI=1S/C15H14N2O2S/c1-10-16-12(9-20-10)15(19)17-8-4-7-14(18)11-5-2-3-6-13(11)17/h2-3,5-6,9H,4,7-8H2,1H3
InChIKeySSUSGIZAACEUBY-UHFFFAOYSA-N
XLogP3.07
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 65199902
1-(5-methylthiophene-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336602
1-(1,2-oxazole-3-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336592
1-(2-methylpyrazole-3-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336551
1-(5-methylfuran-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336564
1-(2-bromobenzoyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336539
(5-amino-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 65199933
3,4-dihydro-2H-quinolin-1-yl-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 36653262
1-(2-methylpropanoyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336498
N-tert-butyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-carboxamide
CID 114336650
1-(3-methylsulfanylpropanoyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336610
1-(4,5-dibromothiophene-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336639

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one?
The IUPAC name of 1-(2-methyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one (CID 114336521) is 1-(2-methyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one.
What is the SMILES notation for 1-(2-methyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one?
The canonical SMILES for 1-(2-methyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one is Cc1nc(C(=O)N2CCCC(=O)c3ccccc32)cs1.
What is the InChIKey of 1-(2-methyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one?
The InChIKey is SSUSGIZAACEUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-10-16-12(9-20-10)15(19)17-8-4-7-14(18)11-5-2-3-6-13(11)17/h2-3,5-6,9H,4,7-8H2,1H3.
What are the key properties of 1-(2-methyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one?
1-(2-methyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one has a molecular weight of 286.36 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one is sourced from PubChem (CID 114336521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).