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

C18H23N3O2S — CID 70729434

IUPAC2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide
SMILESCc1ncsc1CCN(C)C(=O)CN1CCOc2ccccc2C1
InChIInChI=1S/C18H23N3O2S/c1-14-17(24-13-19-14)7-8-20(2)18(22)12-21-9-10-23-16-6-4-3-5-15(16)11-21/h3-6,13H,7-12H2,1-2H3
InChIKeyRUIZTCYIMZJEHP-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.35
Rot. Bonds5

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

2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide (PubChem CID 70729434) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide
PubChem CID70729434
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide
SMILESCc1ncsc1CCN(C)C(=O)CN1CCOc2ccccc2C1
InChIInChI=1S/C18H23N3O2S/c1-14-17(24-13-19-14)7-8-20(2)18(22)12-21-9-10-23-16-6-4-3-5-15(16)11-21/h3-6,13H,7-12H2,1-2H3
InChIKeyRUIZTCYIMZJEHP-UHFFFAOYSA-N
XLogP2.35
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide (CID 70729434) is 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide is Cc1ncsc1CCN(C)C(=O)CN1CCOc2ccccc2C1.
What is the InChIKey of 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide?
The InChIKey is RUIZTCYIMZJEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-14-17(24-13-19-14)7-8-20(2)18(22)12-21-9-10-23-16-6-4-3-5-15(16)11-21/h3-6,13H,7-12H2,1-2H3.
What are the key properties of 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide?
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide has a molecular weight of 345.47 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 70729434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).