(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone

C17H13FN4O2S — CID 166359020

IUPAC(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2cnccn2)n1)N1CCOc2cc(F)ccc2C1
InChIInChI=1S/C17H13FN4O2S/c18-12-2-1-11-9-22(5-6-24-15(11)7-12)17(23)14-10-25-16(21-14)13-8-19-3-4-20-13/h1-4,7-8,10H,5-6,9H2
InChIKeyGFZRAZGZLOTKRW-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.77
Rot. Bonds2

About (8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone

(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone (PubChem CID 166359020) has the molecular formula C17H13FN4O2S and a molecular weight of 356.38 g/mol. Its IUPAC name is (8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
PubChem CID166359020
Molecular FormulaC17H13FN4O2S
Molecular Weight356.38 g/mol
Exact Mass356.07
IUPAC Name(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2cnccn2)n1)N1CCOc2cc(F)ccc2C1
InChIInChI=1S/C17H13FN4O2S/c18-12-2-1-11-9-22(5-6-24-15(11)7-12)17(23)14-10-25-16(21-14)13-8-19-3-4-20-13/h1-4,7-8,10H,5-6,9H2
InChIKeyGFZRAZGZLOTKRW-UHFFFAOYSA-N
XLogP2.77
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of (8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone (CID 166359020) is (8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone is O=C(c1csc(-c2cnccn2)n1)N1CCOc2cc(F)ccc2C1.
What is the InChIKey of (8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is GFZRAZGZLOTKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O2S/c18-12-2-1-11-9-22(5-6-24-15(11)7-12)17(23)14-10-25-16(21-14)13-8-19-3-4-20-13/h1-4,7-8,10H,5-6,9H2.
What are the key properties of (8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone?
(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 356.38 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 166359020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).