2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(1,2,5-thiadiazol-3-yl)methanone

C11H15N3O2S — CID 47353352

IUPAC2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(1,2,5-thiadiazol-3-yl)methanone
SMILESO=C(c1cnsn1)N1CCOC2CCCCC21
InChIInChI=1S/C11H15N3O2S/c15-11(8-7-12-17-13-8)14-5-6-16-10-4-2-1-3-9(10)14/h7,9-10H,1-6H2
InChIKeyFRQFYNSHUDRSBB-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.32
Rot. Bonds1

About 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(1,2,5-thiadiazol-3-yl)methanone

2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(1,2,5-thiadiazol-3-yl)methanone (PubChem CID 47353352) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(1,2,5-thiadiazol-3-yl)methanone.

Molecular Properties

Compound Name2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(1,2,5-thiadiazol-3-yl)methanone
PubChem CID47353352
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(1,2,5-thiadiazol-3-yl)methanone
SMILESO=C(c1cnsn1)N1CCOC2CCCCC21
InChIInChI=1S/C11H15N3O2S/c15-11(8-7-12-17-13-8)14-5-6-16-10-4-2-1-3-9(10)14/h7,9-10H,1-6H2
InChIKeyFRQFYNSHUDRSBB-UHFFFAOYSA-N
XLogP1.32
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(1,2,5-thiadiazol-3-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 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(1,2,5-thiadiazol-3-yl)methanone?
The IUPAC name of 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(1,2,5-thiadiazol-3-yl)methanone (CID 47353352) is 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(1,2,5-thiadiazol-3-yl)methanone.
What is the SMILES notation for 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(1,2,5-thiadiazol-3-yl)methanone?
The canonical SMILES for 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(1,2,5-thiadiazol-3-yl)methanone is O=C(c1cnsn1)N1CCOC2CCCCC21.
What is the InChIKey of 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(1,2,5-thiadiazol-3-yl)methanone?
The InChIKey is FRQFYNSHUDRSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c15-11(8-7-12-17-13-8)14-5-6-16-10-4-2-1-3-9(10)14/h7,9-10H,1-6H2.
What are the key properties of 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(1,2,5-thiadiazol-3-yl)methanone?
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(1,2,5-thiadiazol-3-yl)methanone has a molecular weight of 253.33 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(1,2,5-thiadiazol-3-yl)methanone is sourced from PubChem (CID 47353352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).