2-[[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)phenyl]methyl]-1,2-thiazolidine 1,1-dioxide

C16H19N3O3S — CID 167938218

IUPAC2-[[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)phenyl]methyl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1Cc1cccc(-c2cnc3n2CCOC3)c1
InChIInChI=1S/C16H19N3O3S/c20-23(21)8-2-5-18(23)11-13-3-1-4-14(9-13)15-10-17-16-12-22-7-6-19(15)16/h1,3-4,9-10H,2,5-8,11-12H2
InChIKeyWWIXRYRMCGUOKW-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.62
Rot. Bonds3

About 2-[[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)phenyl]methyl]-1,2-thiazolidine 1,1-dioxide

2-[[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)phenyl]methyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 167938218) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-[[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)phenyl]methyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)phenyl]methyl]-1,2-thiazolidine 1,1-dioxide
PubChem CID167938218
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name2-[[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)phenyl]methyl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1Cc1cccc(-c2cnc3n2CCOC3)c1
InChIInChI=1S/C16H19N3O3S/c20-23(21)8-2-5-18(23)11-13-3-1-4-14(9-13)15-10-17-16-12-22-7-6-19(15)16/h1,3-4,9-10H,2,5-8,11-12H2
InChIKeyWWIXRYRMCGUOKW-UHFFFAOYSA-N
XLogP1.62
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)phenyl]methyl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)phenyl]methyl]-1,2-thiazolidine 1,1-dioxide (CID 167938218) is 2-[[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)phenyl]methyl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)phenyl]methyl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)phenyl]methyl]-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CCCN1Cc1cccc(-c2cnc3n2CCOC3)c1.
What is the InChIKey of 2-[[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)phenyl]methyl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is WWIXRYRMCGUOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c20-23(21)8-2-5-18(23)11-13-3-1-4-14(9-13)15-10-17-16-12-22-7-6-19(15)16/h1,3-4,9-10H,2,5-8,11-12H2.
What are the key properties of 2-[[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)phenyl]methyl]-1,2-thiazolidine 1,1-dioxide?
2-[[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)phenyl]methyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 333.41 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)phenyl]methyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 167938218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).