N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide

C17H19N3O2S — CID 100831147

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
SMILESCc1nc(CNC(=O)CN2C(=O)CCCc3ccccc32)cs1
InChIInChI=1S/C17H19N3O2S/c1-12-19-14(11-23-12)9-18-16(21)10-20-15-7-3-2-5-13(15)6-4-8-17(20)22/h2-3,5,7,11H,4,6,8-10H2,1H3,(H,18,21)
InChIKeyRESOYHULWSQHLG-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.44
Rot. Bonds4

About N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide (PubChem CID 100831147) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
PubChem CID100831147
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
SMILESCc1nc(CNC(=O)CN2C(=O)CCCc3ccccc32)cs1
InChIInChI=1S/C17H19N3O2S/c1-12-19-14(11-23-12)9-18-16(21)10-20-15-7-3-2-5-13(15)6-4-8-17(20)22/h2-3,5,7,11H,4,6,8-10H2,1H3,(H,18,21)
InChIKeyRESOYHULWSQHLG-UHFFFAOYSA-N
XLogP2.44
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
CID 46276056
N-[(4-methylsulfanylphenyl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
CID 46276082
2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-prop-2-enylacetamide
CID 100831100
N-(5-chloro-2-methylphenyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
CID 46276054
2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(1-phenylethyl)acetamide
CID 50758002
2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 92742582
2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(2-piperidin-1-ylethyl)acetamide
CID 50758027
N-(2,5-dimethylphenyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
CID 46276059
N-[(1R,2R)-2-methylcyclopropyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
CID 95702472
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
CID 100831133
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 55866206
2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 46276063

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide (CID 100831147) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide is Cc1nc(CNC(=O)CN2C(=O)CCCc3ccccc32)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide?
The InChIKey is RESOYHULWSQHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-12-19-14(11-23-12)9-18-16(21)10-20-15-7-3-2-5-13(15)6-4-8-17(20)22/h2-3,5,7,11H,4,6,8-10H2,1H3,(H,18,21).
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide has a molecular weight of 329.43 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide is sourced from PubChem (CID 100831147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).