3-thiophen-3-yl-1'-(thiophen-3-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]

C18H19N3OS2 — CID 131672594

About 3-thiophen-3-yl-1'-(thiophen-3-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]

3-thiophen-3-yl-1'-(thiophen-3-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine] (PubChem CID 131672594) has the molecular formula C18H19N3OS2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 3-thiophen-3-yl-1'-(thiophen-3-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine].

Molecular Properties

• Compound Name: 3-thiophen-3-yl-1'-(thiophen-3-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]
• PubChem CID: 131672594
• Molecular Formula: C18H19N3OS2
• Molecular Weight: 357.50 g/mol
• Exact Mass: 357.10
• IUPAC Name: 3-thiophen-3-yl-1'-(thiophen-3-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]
• SMILES: c1cc(CN2CCC3(C2)Cn2c(-c4ccsc4)cnc2CO3)cs1
• InChI: InChI=1S/C18H19N3OS2/c1-5-23-10-14(1)8-20-4-3-18(12-20)13-21-16(15-2-6-24-11-15)7-19-17(21)9-22-18/h1-2,5-7,10-11H,3-4,8-9,12-13H2
• InChIKey: UIJLVGXJRRJFTQ-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 30.29 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.50
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-3-yl-1'-(thiophen-3-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]?

The IUPAC name of 3-thiophen-3-yl-1'-(thiophen-3-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine] (CID 131672594) is 3-thiophen-3-yl-1'-(thiophen-3-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine].

What is the SMILES notation for 3-thiophen-3-yl-1'-(thiophen-3-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]?

The canonical SMILES for 3-thiophen-3-yl-1'-(thiophen-3-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine] is c1cc(CN2CCC3(C2)Cn2c(-c4ccsc4)cnc2CO3)cs1.

What is the InChIKey of 3-thiophen-3-yl-1'-(thiophen-3-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]?

The InChIKey is UIJLVGXJRRJFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS2/c1-5-23-10-14(1)8-20-4-3-18(12-20)13-21-16(15-2-6-24-11-15)7-19-17(21)9-22-18/h1-2,5-7,10-11H,3-4,8-9,12-13H2.

What are the key properties of 3-thiophen-3-yl-1'-(thiophen-3-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]?

3-thiophen-3-yl-1'-(thiophen-3-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine] has a molecular weight of 357.50 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-thiophen-3-yl-1'-(thiophen-3-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine] is sourced from PubChem (CID 131672594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).