8-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbaldehyde

C8H8N2O2S — CID 82399644

IUPAC8-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbaldehyde
SMILESO=Cc1cn2c(nc1=O)SCCC2
InChIInChI=1S/C8H8N2O2S/c11-5-6-4-10-2-1-3-13-8(10)9-7(6)12/h4-5H,1-3H2
InChIKeyURFQLCWWSUVLCQ-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.55
Rot. Bonds1

About 8-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbaldehyde

8-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbaldehyde (PubChem CID 82399644) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is 8-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbaldehyde.

Molecular Properties

Compound Name8-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbaldehyde
PubChem CID82399644
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Name8-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbaldehyde
SMILESO=Cc1cn2c(nc1=O)SCCC2
InChIInChI=1S/C8H8N2O2S/c11-5-6-4-10-2-1-3-13-8(10)9-7(6)12/h4-5H,1-3H2
InChIKeyURFQLCWWSUVLCQ-UHFFFAOYSA-N
XLogP0.55
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbaldehyde?
The IUPAC name of 8-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbaldehyde (CID 82399644) is 8-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbaldehyde.
What is the SMILES notation for 8-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbaldehyde?
The canonical SMILES for 8-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbaldehyde is O=Cc1cn2c(nc1=O)SCCC2.
What is the InChIKey of 8-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbaldehyde?
The InChIKey is URFQLCWWSUVLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c11-5-6-4-10-2-1-3-13-8(10)9-7(6)12/h4-5H,1-3H2.
What are the key properties of 8-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbaldehyde?
8-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbaldehyde has a molecular weight of 196.23 g/mol, XLogP of 0.55, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbaldehyde is sourced from PubChem (CID 82399644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).