4H-pyrido[3,2-b][1,4]oxazine-3-thione

C7H6N2OS — CID 91621570

IUPAC4H-pyrido[3,2-b][1,4]oxazine-3-thione
SMILESS=C1COc2cccnc2N1
InChIInChI=1S/C7H6N2OS/c11-6-4-10-5-2-1-3-8-7(5)9-6/h1-3H,4H2,(H,8,9,11)
InChIKeyNSUYBBMXLYEZKS-UHFFFAOYSA-N
MW166.21 g/mol
LogP1.21
Rot. Bonds

About 4H-pyrido[3,2-b][1,4]oxazine-3-thione

4H-pyrido[3,2-b][1,4]oxazine-3-thione (PubChem CID 91621570) has the molecular formula C7H6N2OS and a molecular weight of 166.21 g/mol. Its IUPAC name is 4H-pyrido[3,2-b][1,4]oxazine-3-thione.

Molecular Properties

Compound Name4H-pyrido[3,2-b][1,4]oxazine-3-thione
PubChem CID91621570
Molecular FormulaC7H6N2OS
Molecular Weight166.21 g/mol
Exact Mass166.02
IUPAC Name4H-pyrido[3,2-b][1,4]oxazine-3-thione
SMILESS=C1COc2cccnc2N1
InChIInChI=1S/C7H6N2OS/c11-6-4-10-5-2-1-3-8-7(5)9-6/h1-3H,4H2,(H,8,9,11)
InChIKeyNSUYBBMXLYEZKS-UHFFFAOYSA-N
XLogP1.21
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4H-pyrido[3,2-b][1,4]oxazine-3-thione?
The IUPAC name of 4H-pyrido[3,2-b][1,4]oxazine-3-thione (CID 91621570) is 4H-pyrido[3,2-b][1,4]oxazine-3-thione.
What is the SMILES notation for 4H-pyrido[3,2-b][1,4]oxazine-3-thione?
The canonical SMILES for 4H-pyrido[3,2-b][1,4]oxazine-3-thione is S=C1COc2cccnc2N1.
What is the InChIKey of 4H-pyrido[3,2-b][1,4]oxazine-3-thione?
The InChIKey is NSUYBBMXLYEZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS/c11-6-4-10-5-2-1-3-8-7(5)9-6/h1-3H,4H2,(H,8,9,11).
What are the key properties of 4H-pyrido[3,2-b][1,4]oxazine-3-thione?
4H-pyrido[3,2-b][1,4]oxazine-3-thione has a molecular weight of 166.21 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-pyrido[3,2-b][1,4]oxazine-3-thione is sourced from PubChem (CID 91621570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).