2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

C15H15N3O2S2 — CID 42650223

IUPAC2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSC1CCc2ccccc2NC1=O)Nc1nccs1
InChIInChI=1S/C15H15N3O2S2/c19-13(18-15-16-7-8-21-15)9-22-12-6-5-10-3-1-2-4-11(10)17-14(12)20/h1-4,7-8,12H,5-6,9H2,(H,17,20)(H,16,18,19)
InChIKeyOISISXPJCLLTLJ-UHFFFAOYSA-N
MW333.44 g/mol
LogP2.77
Rot. Bonds4

About 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 42650223) has the molecular formula C15H15N3O2S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID42650223
Molecular FormulaC15H15N3O2S2
Molecular Weight333.44 g/mol
Exact Mass333.06
IUPAC Name2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSC1CCc2ccccc2NC1=O)Nc1nccs1
InChIInChI=1S/C15H15N3O2S2/c19-13(18-15-16-7-8-21-15)9-22-12-6-5-10-3-1-2-4-11(10)17-14(12)20/h1-4,7-8,12H,5-6,9H2,(H,17,20)(H,16,18,19)
InChIKeyOISISXPJCLLTLJ-UHFFFAOYSA-N
XLogP2.77
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 42650223) is 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is O=C(CSC1CCc2ccccc2NC1=O)Nc1nccs1.
What is the InChIKey of 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is OISISXPJCLLTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S2/c19-13(18-15-16-7-8-21-15)9-22-12-6-5-10-3-1-2-4-11(10)17-14(12)20/h1-4,7-8,12H,5-6,9H2,(H,17,20)(H,16,18,19).
What are the key properties of 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 333.44 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 42650223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).