6-thiophen-2-yl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbaldehyde

C11H10N2O2S — CID 121204824

IUPAC6-thiophen-2-yl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbaldehyde
SMILESO=Cc1ncn2c1COC(c1cccs1)C2
InChIInChI=1S/C11H10N2O2S/c14-5-8-9-6-15-10(4-13(9)7-12-8)11-2-1-3-16-11/h1-3,5,7,10H,4,6H2
InChIKeyLGNGKRPYKBOWHM-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.03
Rot. Bonds2

About 6-thiophen-2-yl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbaldehyde

6-thiophen-2-yl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbaldehyde (PubChem CID 121204824) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 6-thiophen-2-yl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbaldehyde.

Molecular Properties

Compound Name6-thiophen-2-yl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbaldehyde
PubChem CID121204824
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name6-thiophen-2-yl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbaldehyde
SMILESO=Cc1ncn2c1COC(c1cccs1)C2
InChIInChI=1S/C11H10N2O2S/c14-5-8-9-6-15-10(4-13(9)7-12-8)11-2-1-3-16-11/h1-3,5,7,10H,4,6H2
InChIKeyLGNGKRPYKBOWHM-UHFFFAOYSA-N
XLogP2.03
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-thiophen-2-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbaldehyde
CID 121204796
1-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-6-thiophen-2-yl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
CID 171109817
2-(chloromethyl)-6-thiophen-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
CID 121204837
[(6R)-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanamine
CID 129498365
2-thiophen-2-ylmorpholin-4-amine
CID 82280994
3-nitroso-5-thiophen-2-yl-1,3-oxazolidin-2-one
CID 134897386
4-thiophen-2-ylpiperidine-1-carbaldehyde
CID 89385438
1-phenyl-5-[(2R)-2-thiophen-2-ylmorpholine-4-carbonyl]pyrazole-3-carboxylic acid
CID 124701077
4-chloro-2-methyl-5-(2-thiophen-2-ylmorpholin-4-yl)pyridazin-3-one
CID 133363707
[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl]methanol
CID 129497058
4-thieno[2,3-d]pyrimidin-4-yl-2-thiophen-2-ylmorpholine
CID 133363726
2-(cyclopropylmethylamino)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone
CID 119757315

Frequently Asked Questions

What is the IUPAC name of 6-thiophen-2-yl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbaldehyde?
The IUPAC name of 6-thiophen-2-yl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbaldehyde (CID 121204824) is 6-thiophen-2-yl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbaldehyde.
What is the SMILES notation for 6-thiophen-2-yl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbaldehyde?
The canonical SMILES for 6-thiophen-2-yl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbaldehyde is O=Cc1ncn2c1COC(c1cccs1)C2.
What is the InChIKey of 6-thiophen-2-yl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbaldehyde?
The InChIKey is LGNGKRPYKBOWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c14-5-8-9-6-15-10(4-13(9)7-12-8)11-2-1-3-16-11/h1-3,5,7,10H,4,6H2.
What are the key properties of 6-thiophen-2-yl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbaldehyde?
6-thiophen-2-yl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbaldehyde has a molecular weight of 234.28 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-thiophen-2-yl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbaldehyde is sourced from PubChem (CID 121204824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).